Molecule ID: 4993

IUPAC Name: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine

Description: The molecule is an aminopyrimidine that is pyrimidine-2,4-diamine which is substituted at position 5 by a p-chlorophenyl group and at position 6 by an ethyl group. It is a folic acid antagonist used as an antimalarial or with a sulfonamide to treat toxoplasmosis. It has a role as an antimalarial, an EC 1.5.1.3 (dihydrofolate reductase) inhibitor and an antiprotozoal drug. It is an aminopyrimidine and a member of monochlorobenzenes.

SMILES: CCc1nc(=N)[nH]c(N)c1-c1ccc(Cl)cc1

SELFIES: [C][C][C][=N][C][=Branch1][C][=N][NH1][C][Branch1][C][N][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 2.7