Molecule ID: 9411

IUPAC Name: 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione

Description: The molecule is a pyrimidone that is pyrimidine-2,4(1H,3H)-dione substituted by a bromo group at position 5, a butan-2-yl group at position 3 and a methyl group at position 6. It is a pyrimidone and an organobromine compound.

SMILES: CCC(C)n1c(O)nc(C)c(Br)c1=O

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

InChI: InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)

Molecular Properties:
- Polar Surface Area: 49.4 Ų
- LogP: 2.1