Molecule ID: 114926

IUPAC Name: N-(4,6-diaminopyrimidin-5-yl)formamide

Description: The molecule is a member of the class of aminopyrimidines that is 4,6-diaminopyrimidine bearing an additional formamido substituent at position 5. A DNA lesion formed when DNA exposed to ionising radiation. It is an aminopyrimidine and a formamidopyrimidine.

SMILES: N=c1[nH]cnc(N)c1N=CO

SELFIES: [N][=C][NH1][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][N][=C][O]

InChI: InChI=1S/C5H7N5O/c6-4-3(10-2-11)5(7)9-1-8-4/h1-2H,(H,10,11)(H4,6,7,8,9)

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: -1.3