Molecule ID: 108201

IUPAC Name: 2-N-tert-butyl-6-chloro-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 tert-butyl group at the amino nitrogen and a chloro group at position 6. It is metabolite of the herbicide terbutylazine. It has a role as a marine xenobiotic metabolite. It is a diamino-1,3,5-triazine and a chloro-1,3,5-triazine.

SMILES: CC(C)(C)Nc1nc(Cl)nc(=N)[nH]1

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

InChI: InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)

Molecular Properties:
- Polar Surface Area: 76.7 Ų
- LogP: 2.0