Thymine
PubChem CID: 1135
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| Compound Synonyms | thymine, 65-71-4, 5-methyluracil, 2,4-Dihydroxy-5-methylpyrimidine, Thymin, 5-methylpyrimidine-2,4(1H,3H)-dione, Thymine anhydrate, 2,4(1H,3H)-Pyrimidinedione, 5-methyl-, 5-Methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione, Thymin (purine base), 5-methyl-1H-pyrimidine-2,4-dione, 5-methyl-2,4(1H,3H)-pyrimidinedione, 5-Methyl Uracil, CCRIS 5584, CHEBI:17821, UNII-QR26YLT7LT, QR26YLT7LT, AI3-25479, NSC14705, EINECS 200-616-1, MFCD00006026, NSC 14705, 5-methylpyrimidine-2,4-diol, 5-Methylpyrimidine-2,4-dione, 4-Hydroxy-5-methylpyrimidin-2(1H)-one, DTXSID4052342, NSC-14705, CHEMBL993, 5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE (THYMINE), 123430-67-1, 153445-43-3, DTXCID4030914, 5-Methyl-2,4-dihydroxypyrimidine, thymine-d4, NSC-168663, Thy, 2792-47-4, 3059-73-2, THYMINE (USP IMPURITY), THYMINE [USP IMPURITY], Thymine-t, 5 Methyluracil, Thymine (VAN), (3H)Methylthymidine, Methyl-3H thymidine, ZIDOVUDINE IMPURITY C (EP IMPURITY), ZIDOVUDINE IMPURITY C [EP IMPURITY], Thymine (8CI), Zidovudine Impurity C, 5-methyl-uracil, Thymine,(S), Thymine (Standard), 200496-79-3, Thymine, >=99%, THYMINE [MI], THYMINE [WHO-DD], STAVUINE IMPURITY A, Epitope ID:167476, SCHEMBL5235, 2,4-Dihydroxy-5-methylpyrimidine, 5-Methyluracil, 2,4(1H,3H)-Pyrimidinedione, 5-methyl- (9CI), 4(1H)-Pyrimidinone, 2-hydroxy-5-methyl- (9CI), 4(3H)-Pyrimidinone, 2-hydroxy-5-methyl- (9CI), 69497-78-5, 5-Methyl-2,4-dioxypyrimidine, 2.6-Dioxy-5-methyl-pyrimidin, GTPL4581, SCHEMBL15496760, SCHEMBL16356870, WLN: T6N CNJ BQ DQ E1, 2,4(1H,3H)-Pyrimidinedione, 5-methyl-, labeled with tritium, AIA49679, BCP22973, HY-W010450R, TCA94198, 2,3H)-Pyrimidinedione, 5-methyl-, Tox21_303929, BDBM50134397, s9382, STL280241, STL477641, STAVUINE IMPURITY A [WHO-IP], AKOS000120923, AKOS002337369, AC-7756, CCG-266101, CS-W011166, DB03462, FT06260, HY-W010450, SB57778, ZIDOVUDINE IMPURITY C [WHO-IP], CAS-65-71-4, CID 5274265, NCGC00357169-01, SY014896, Thymine, Vetec(TM) reagent grade, 99%, 2(1H)-Pyrimidinone, 4-hydroxy-5-methyl-, 4(1H)-Pyrimidinone, 2-hydroxy-5-methyl-, 4(3H)-Pyrimidinone, 2-hydroxy-5-methyl-, DB-016098, DB-268941, DB-268967, DB-272085, DB-272203, pyrimidine-2,4(1H,3H)-dione, 5-methyl-, NS00001295, T0234, EN300-21969, C00178, Thymine, suitable for cell culture, BioReagent, 2(1H)-PYRIMIDINONE, 6-HYDROXY-5-METHYL-, Q171973, SR-01000945223, SR-01000945223-1, 036B9F1D-9B61-4CED-967C-BF1DA180E5C2, F0001-1753, Z147641104, InChI=1/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9, 200-616-1, 691841-57-3 |
|---|---|
| Topological Polar Surface Area | 58.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 9.0 |
| Pathway Kegg Map Id | map00240 |
| Description | One of the pyrimidine bases of living matter. Derivation: Hydrolysis of deoxyribonucleic acid, from methylcyanoacetylurea by catalytic reduction. Use: Biochemical research. (Hawley's Condensed Chemical Dictionary) Thymine is a pyrimidine nucleobase. As the name implies, thymine may be derived by methylation of uracil at the 5th carbon. Thymine is found in the nucleic acid DNA. In RNA thymine is replaced with uracil in most cases. In DNA, thymine binds to adenine via two hydrogen bonds to assist in stabilizing the nucleic acid structures. [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 195.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | P19971 |
| Uniprot Id | Q12882, P19971, Q9BY64, P06133, P22310, P36537, P16662, P54855, Q9Y4X1, P22309, O60656, P35503, O75795, P19224, P35504, O75310, P08236, Q6UWM9, Q5DT02, Q5DSZ6, Q5DSZ7, Q99N42, n.a., Q6PL18 |
| Iupac Name | 5-methyl-1H-pyrimidine-2,4-dione |
| Prediction Hob | 1.0 |
| Class | Diazines |
| Xlogp | -0.6 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Molecular Formula | C5H6N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RWQNBRDOKXIBIV-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -1.486 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | -0.05 |
| Synonyms | 2,4-Dihydroxy-5-methylpyrimidine, 4-Hydroxy-5-methylpyrimidin-2(1H)-one, 5-Methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione, 5-Methyl-2,4-dihydroxypyrimidine, 5-Methyl-2,4(1H,3H)-pyrimidinedione, 5-Methylpyrimidine-2,4-dione, 5-Methylpyrimidine-2,4(1H,3H)-dione, 5-Methyluracil, Thy, Thymin, Thymine, T, 5 Methyluracil, 6,7-Didehydrotestosterone O-glucuronide, 6-Dehydrotestosterone O-glucuronide, 3-Oxoandrosta-4,6-dien-17beta-yl beta-D-glucopyranosiduronic acid, 3-Oxoandrosta-4,6-dien-17beta-yl beta-delta-glucopyranosiduronic acid, 6-Dehydrotestosterone 17-glucosiduronic acid, 6-Dehydrotestosterone 17-glucosiduronate |
| Substituent Name | Hydroxypyrimidine, Heteroaromatic compound, Azacycle, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Aromatic heteromonocyclic compound |
| Compound Name | Thymine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 126.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 126.043 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 126.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Esol | -1.4428463333333332 |
| Inchi | InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9) |
| Smiles | CC1=CNC(=O)NC1=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Hydroxypyrimidines |
- 1. Outgoing r'ship
FOUND_INto/from Allium Tuberosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Aloe Barbadensis (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Cordyceps Sinensis (Plant) Rel Props:Source_db:npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Crinum Asiaticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Equisetum Hyemale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Euryale Ferox (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Fritillaria Cirrhosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Fritillaria Delavayi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Fritillaria Prezewalskii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Fritillaria Przewalskii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Fritillaria Taipaiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Fritillaria Unibracteata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Fritillaria Verticillata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Gastrodia Elata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Liriope Muscari (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 23. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Ophiopogon Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 25. Outgoing r'ship
FOUND_INto/from Pinellia Pedatisecta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 26. Outgoing r'ship
FOUND_INto/from Typha Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 27. Outgoing r'ship
FOUND_INto/from Typha Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 28. Outgoing r'ship
FOUND_INto/from Xanthium Strumarium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 29. Outgoing r'ship
FOUND_INto/from Ziziphus Jujuba (Plant) Rel Props:Source_db:cmaup_ingredients