Molecule ID: 135424354

IUPAC Name: 5-butyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one

Description: The molecule is an aminopyrimidine that is 2-ethylaminopyrimidin-4-one carrying butyl and methyl substituents at positions 5 and 6 respectively. A fungicide first marketed in 1970 and used as a seed treatment for diseaases such as damping-off, it is not licensed for use within the European Union. It has a role as an antifungal agrochemical. It is an aminopyrimidine, a pyrimidone, a secondary amino compound and a pyrimidine fungicide.

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

SELFIES: [C][C][C][C][C][C][Branch1][C][O][=N][C][=Branch1][Ring2][=N][C][C][NH1][C][=Ring1][#Branch2][C]

InChI: InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)

Molecular Properties:
- Polar Surface Area: 53.5 Ų
- LogP: 1.7