Molecule ID: 10986305

IUPAC Name: 6-amino-2-oxo-1H-pyrimidine-5-carbaldehyde

Description: The molecule is a nucleobase analogue that is cytosine in which the hydrogen at position 5 is replaced by a formyl group. It has a role as a metabolite. It is an aminopyrimidine, a pyrimidone, a nucleobase analogue and a heteroarenecarbaldehyde. It derives from a cytosine.

SMILES: N=c1[nH]c(O)ncc1C=O

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

InChI: InChI=1S/C5H5N3O2/c6-4-3(2-9)1-7-5(10)8-4/h1-2H,(H3,6,7,8,10)

Molecular Properties:
- Polar Surface Area: 84.6 Ų
- LogP: -1.0