Molecule ID: 1174

IUPAC Name: 1H-pyrimidine-2,4-dione

Description: The molecule is a common and naturally occurring pyrimidine nucleobase in which the pyrimidine ring is substituted with two oxo groups at positions 2 and 4. Found in RNA, it base pairs with adenine and replaces thymine during DNA transcription. It has a role as a prodrug, a human metabolite, a Daphnia magna metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a mouse metabolite and an allergen. It is a pyrimidine nucleobase and a pyrimidone. It is a tautomer of a (4S)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one.

SMILES: Oc1ccnc(O)n1

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

InChI: InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)

Molecular Properties:
- Polar Surface Area: 58.2 Ų
- LogP: -1.1