1-Methyluracil
PubChem CID: 12009
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| Compound Synonyms | 1-METHYLURACIL, 615-77-0, 1-methylpyrimidine-2,4(1H,3H)-dione, 1-Methyl-2,4(1H,3H)-pyrimidinedione, 1-methylpyrimidine-2,4-dione, Uracil, 1-methyl-, 2,4(1H,3H)-Pyrimidinedione, 1-methyl-, MFCD00038666, NSC 44432, N1-METHYLURACIL, 4ZB2484Q0M, NSC44432, NSC-44432, 1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione, UNII-4ZB2484Q0M, CHEMBL4797970, CHEBI:69445, DTXSID90210474, 1-METHYL-1H,3H-PYRIMIDINE-2,4-DIONE, 1-methyl-1h-pyrimidine-2,4-dione, 1-Methyluracil, 99%, Uracil, 1-methyl-(8CI), SCHEMBL35355, SCHEMBL12677264, DTXCID90132965, HMS1741M02, BCP07466, 2,3H)-Pyrimidinedione, 1-methyl-, BBL100079, BDBM50549810, GEO-01979, STL511064, AKOS001204335, AT19346, CS-W011165, SB57615, BS-22717, SY056678, 1-Methyl-2,4(1H,3H)-pyrimidinedione #, DB-053936, pyrimidine-2,4(1H,3H)-dione, 1-methyl-, EN300-23560, pyrimidine, 1,2-dihydro-4-hydroxy-1-methyl-2-oxo-, Q27137782, F2185-0048, Z154666196 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 49.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC(C)C1 |
| Np Classifier Class | Purine alkaloids |
| Deep Smiles | Cnccc=O)[nH]c6=O |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Diazines |
| Scaffold Graph Node Level | OC1CCNC(O)N1 |
| Classyfire Subclass | Pyrimidines and pyrimidine derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 185.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q96SW2 |
| Iupac Name | 1-methylpyrimidine-2,4-dione |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -1.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H6N2O2 |
| Scaffold Graph Node Bond Level | O=c1cc[nH]c(=O)[nH]1 |
| Inchi Key | XBCXJKGHPABGSD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1-methyl-1h-pyrimidine-2,4-dione |
| Esol Class | Very soluble |
| Functional Groups | c=O, c[nH]c, cn(c)C |
| Compound Name | 1-Methyluracil |
| Exact Mass | 126.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 126.043 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 126.11 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H6N2O2/c1-7-3-2-4(8)6-5(7)9/h2-3H,1H3,(H,6,8,9) |
| Smiles | CN1C=CC(=O)NC1=O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Pseudoalkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Alangium Salviifolium (Plant) Rel Props:Reference:ISBN:9788171360536 - 2. Outgoing r'ship
FOUND_INto/from Cordyceps Sinensis (Plant) Rel Props:Source_db:npass_chem_all