Molecule ID: 68760

IUPAC Name: 5-[(4-bromo-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine

Description: The molecule is an aminopyrimidine that is 2,4-diaminopyrimidine in which the hydrogen at position 5 has been replaced by a 4-bromo-3,5-dimethoxybenzyl group. It has a role as an EC 1.5.1.3 (dihydrofolate reductase) inhibitor, an antiinfective agent and an antibacterial drug. It is an aminopyrimidine, a member of bromobenzenes and a member of methoxybenzenes.

SMILES: COc1cc(Cc2c[nH]c(=N)[nH]c2=N)cc(OC)c1Br

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

InChI: InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)

Molecular Properties:
- Polar Surface Area: 96.3 Ų
- LogP: 2.0