Molecule ID: 2256

IUPAC Name: 6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

Description: The molecule is a diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6 while one of hydrogens of each amino group is replaced respectively by an ethyl and a propan-2-yl group. It has a role as a herbicide, an environmental contaminant and a xenobiotic. It is a chloro-1,3,5-triazine and a diamino-1,3,5-triazine. It derives from a 6-chloro-1,3,5-triazine-2,4-diamine.

SMILES: CCN=c1nc(Cl)[nH]c(=NC(C)C)[nH]1

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

InChI: InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)

Molecular Properties:
- Polar Surface Area: 62.7 Ų
- LogP: 2.6