Molecule ID: 5802

IUPAC Name: 5-bromo-1H-pyrimidine-2,4-dione

Description: The molecule is a pyrimidine having keto groups at the 2- and 4-positions and a bromo group at the 5-position. Used mainly as an experimental mutagen. It has a role as a mutagen. It is a member of pyrimidines and a nucleobase analogue. It derives from a uracil.

SMILES: Oc1ncc(Br)c(O)n1

SELFIES: [O][C][=N][C][=C][Branch1][C][Br][C][Branch1][C][O][=N][Ring1][Branch2]

InChI: InChI=1S/C4H3BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)

Molecular Properties:
- Polar Surface Area: 58.2 Ų
- LogP: -0.2