5-Methylcytosine
PubChem CID: 65040
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 5-Methylcytosine, 554-01-8, 4-amino-5-methylpyrimidin-2(1H)-one, 2(1H)-Pyrimidinone, 4-amino-5-methyl-, Cytosine, 5-methyl-, 6-amino-5-methyl-1H-pyrimidin-2-one, 5-Methylcytosine (VAN), 5 Methylcytosine, 130170-01-3, 5-methyl-Cytosine, 4-amino-5-methyl-2(1H)-pyrimidinone, EINECS 209-058-3, UNII-6R795CQT4H, Cytosine, 5-methyl- (VAN), NSC 137776, 6R795CQT4H, 5-Methylcytosine>96, 4-Amino-5-methyl-2-pyrimidinol, MFCD00233537, NSC-137776, METHYLCYTOSINE, 5-, 2-Pyrimidinol, 4-amino-5-methyl- (9CI), 5-METHYLCYTOSINE [MI], CHEBI:27551, DTXSID50203948, 130170-00-2, 4-amino-5-methyl-2-(1H)-Pyrimidinone, 2(1H)-Pyrimidinone, 3,4-dihydro-4-imino-5-methyl-, (E)- (9CI), 6-amino-5-methyl-1,2-dihydropyrimidin-2-one, 5-Methylcytosine (~90%), 5-Methylcytosine Monohydrochloride, 5-methyl cytosine, cytosine-5-carbon, 6-Amino-5-methyl-2(1H)-pyrimidinone, 2'-C-MeCyt, 6-amino-5-methyl-3-hydropyrimidin-2-one, Cytosine, 5-methyl-(VAN), SCHEMBL22008, SCHEMBL14539996, DTXCID80126439, 4-Amino-5-methyl-2-pyrimidinol #, Cytosine, 5-methyl-(VAN) (8CI), NSC137776, s6021, AKOS006222273, 4-amino-5-methyl-1H-pyrimidin-2-one, CS-W008091, FM63889, HY-W008091, SB55524, AS-17837, PD123960, pyrimidine, 4-amino-2-hydroxy-5-methyl-, SY046975, 2-PYRIMIDINOL, 4-AMINO-5-METHYL-, DB-007084, DB-271175, NS00014760, 4-amino-5-methyl-1,2-dihydropyrimidin-2-one, C02376, EN300-103021, 2(1H)-Pyrimidinone, 4-amino-5-methyl-(9CI), Q238563, 503CC90D-7575-429C-85CB-AA8AB0E84A3A, Z1741980467, 209-058-3 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 67.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCC1 |
| Np Classifier Class | pteridine alkaloids |
| Deep Smiles | Cccnc=O)[nH]c6N |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Diazines |
| Description | 5-Methylcytosine is a methylated form of cytosine in which a methyl group is attached to carbon 5, altering its structure without altering its base-pairing properties., 5-Methylcytosine is a methylated form of cytosine in which a methyl group is attached to carbon 5, altering its structure without altering its base-pairing properties. -- Wikipedia, 5-Methylcytosine is an epigenetic modification formed by the action of DNA methyltransferases. In bacteria, 5-methylcytosine can be found at a variety of sites, and is often used as a marker to protect DNA from being cut by native methylation-sensitive restriction enzymes. In plants, 5-methylcytosine occurs at both CpG and CpNpG sequences. In fungi and animals, 5-methylcytosine predominately occurs at CpG dinucleotides. Although most eukaryotes methylate only a small percentage of these sites, in vertebrates 70-80% of CpG cytosines are methylated. -- Wikipedia, 5-Methylcytosine is an epigenetic modification formed by the action of DNA methyltransferases. Its function varies significantly among species:, A methylated nucleotide base found in eukaryotic DNA. In animals, the DNA methylation of cytosine to form 5-methylcytosine is found primarily in the palindromic sequence CpG. In plants, the methylated sequence is CpNpGp, where N can be any base. -- Pubchem. |
| Scaffold Graph Node Level | OC1NCCCN1 |
| Classyfire Subclass | Pyrimidines and pyrimidine derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 204.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9Y6K1, Q9UBC3, O14717, Q08J23, Q59FP7 |
| Iupac Name | 6-amino-5-methyl-1H-pyrimidin-2-one |
| Class | Diazines |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -0.8 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H7N3O |
| Scaffold Graph Node Bond Level | O=c1nccc[nH]1 |
| Inchi Key | LRSASMSXMSNRBT-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | 2(1H)-Pyrimidinone, 4-amino-5-methyl-, 2(1H)-Pyrimidinone, 4-amino-5-methyl- (9CI), 4-amino-5-methyl-2-(1H)-Pyrimidinone, 4-Amino-5-methyl-2-pyrimidinol, 4-amino-5-Methyl-2(1H)-pyrimidinone, 5-methyl-Cytosine, 5-Methylcytosine (VAN), 5-Methylcytosine>96, Cytosine, 5-methyl-, Cytosine, 5-methyl- (VAN), Cytosine, 5-methyl- (VAN) (8CI), 4-Amino-5-methyl-2(1H)-pyrimidinone, 4-Amino-5-methyl-2-(1H)-pyrimidinone, 5-Methyl-cytosine, Monohydrochloride, 5-methylcytosine, 5 Methylcytosine, 5 Methylcytosine monohydrochloride, 5-Methylcytosine monohydrochloride, 5-methylcytosine |
| Substituent Name | Pyrimidone, Aminopyrimidine, Imidolactam, Primary aromatic amine, Hydropyrimidine, Heteroaromatic compound, Azacycle, Hydrocarbon derivative, Primary amine, Organooxygen compound, Organonitrogen compound, Amine, Aromatic heteromonocyclic compound |
| Esol Class | Very soluble |
| Functional Groups | c=O, cN, c[nH]c, cnc |
| Compound Name | 5-Methylcytosine |
| Kingdom | Organic compounds |
| Exact Mass | 125.059 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 125.059 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 125.13 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9) |
| Smiles | CC1=C(NC(=O)N=C1)N |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Hydroxypyrimidines |
| Np Classifier Superclass | Pseudoalkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Coccinia Grandis (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 3. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/16660055 - 4. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/10935179 - 5. Outgoing r'ship
FOUND_INto/from Saccharum Officinarum (Plant) Rel Props:Reference:ISBN:9788172362140