bmse000421 5-methylcytosine at BMRB

5-methylcytosine

4-Amino-5-methyl-2-pyrimidinol; 5-Methylcytosine; Cytosine, 5-methyl-; 4-amino-5-methyl-2(1H)-pyrimidinone; 5-methylcytosine; 4-amino-5-methylpyrimidin-2(1H)-one; 2(1H)-Pyrimidinone, 4-amino-5-methyl-

Molecular Formula: C5 H7 N3 O
Natural Isotopic Abundance Mass: 125.12858
Mono-Isotopic Molecular Masses: C12N14: 125.0589118624; C13N14: 130.0756860514; C12N15: 128.050016542; C13N15: 133.066790731

5-methylcytosine

InCHi String:
InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9)

canonical and isomeric SMILES:
CC1=C(NC(=O)N=C1)N

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
6-amino-5-methyl-1H-pyrimidin-2-one

PUBCHEM iupac SYSTEMATIC NAME
6-azanyl-5-methyl-1H-pyrimidin-2-one

PubChem Substance (SID):   85165211   93575975   12051708
PubChem Compound (CID):   65040
KEGG: Compound ID   C02376
CAS Registry IDs:   554-01-8
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   ChEBI CHEBI:27551   ChemSpider 13842349   BioCyc CPD0-2018   ZINC ZINC00394712   DTP/NCI 137776   NIST Chemistry WebBook 689790553

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.