Molecule ID: 304590

IUPAC Name: 2,4-dioxo-1H-pyrimidine-5-carbaldehyde

Description: The molecule is a pyrimidone resulting from the formal oxidation of the alcoholic hydroxy group of 5-hydroxymethyluracil to the corresponding aldehyde. It is a major one-electron photooxidation product of thymine in oligodeoxynucleotides. It has a role as a human metabolite and a mutagen. It is a pyrimidone, an aldehyde and a nucleobase analogue. It derives from a 5-hydroxymethyluracil and a thymine.

SMILES: O=Cc1cnc(O)nc1O

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

InChI: InChI=1S/C5H4N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1-2H,(H2,6,7,9,10)

Molecular Properties:
- Polar Surface Area: 75.3 Ų
- LogP: -1.0