Molecule ID: 4937

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

Description: The molecule is a diamino-1,3,5-triazine that is N,N'-di(propan-2-yl)-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 chloro-1,3,5-triazine and a diamino-1,3,5-triazine.

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

SELFIES: [C][C][Branch1][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/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)

Molecular Properties:
- Polar Surface Area: 62.7 Ų
- LogP: 2.9