Molecule ID: 36584

IUPAC Name: 2-N-tert-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine

Description: The molecule is a diamino-1,3,5-triazine that is N-tert-butyl-N'-ethyl-1,3,5-triazine-2,4-diamine substituted by a methoxy group at position 6. It is an agrochemical used as a herbicide. It has a role as an environmental contaminant, a xenobiotic, a herbicide and an agrochemical. It is a methoxy-1,3,5-triazine and a diamino-1,3,5-triazine.

SMILES: CCN=c1nc(NC(C)(C)C)[nH]c(OC)n1

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

InChI: InChI=1S/C10H19N5O/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)

Molecular Properties:
- Polar Surface Area: 72.0 Ų
- LogP: 3.1