Summary

IMPPAT Phytochemical identifier: IMPHY007135

Phytochemical name: 5-Methylcytosine

Synonymous chemical names:
5-methylcytosine

External chemical identifiers:
CID:65040, ChEBI:27551, ZINC:ZINC000000394712, FDASRS:6R795CQT4H, SureChEMBL:SCHEMBL22008, MolPort-004-759-608

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Chemical structure information

SMILES:
Cc1cnc(=O)[nH]c1N

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

InChIKey:
LRSASMSXMSNRBT-UHFFFAOYSA-N

DeepSMILES:
Cccnc=O)[nH]c6N

Functional groups:
c=O, cN, c[nH]c, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1nccc[nH]1

Scaffold Graph/Node level:
OC1NCCCN1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Diazines

ClassyFire Subclass: Pyrimidines and pyrimidine derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: pteridine alkaloids

NP-Likeness score: -0.409

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Chemical structure download