Molecule ID: 22206

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

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

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

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

InChI: InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)

Molecular Properties:
- Polar Surface Area: 62.7 Ų
- LogP: 3.1