Molecule ID: 38884

IUPAC Name: [5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylsulfamate

Description: The molecule is a member of the class of aminopyrimidines that is 2-ethylaminopyrimidine carrying methyl, butyl and dimethylaminosulfooxy substituents at posiitons 4, 5 and 6 respectively. It has a role as an androgen antagonist and an antifungal agrochemical. It is a secondary amino compound, a sulfamate ester, an aminopyrimidine and a pyrimidine fungicide.

SMILES: CCCCc1c(OS(=O)(=O)N(C)C)nc(=NCC)[nH]c1C

SELFIES: [C][C][C][C][C][C][Branch1][=C][O][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=N][C][=Branch1][Ring2][=N][C][C][NH1][C][=Ring1][S][C]

InChI: InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)

Molecular Properties:
- Polar Surface Area: 92.8 Ų
- LogP: 2.7