Molecule ID: 22563

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

Description: The molecule is a chloro-1,3,5-triazine that is 6-chloro-1,3,5-triazine-2,4-diamine in which one of the hydrogens of the amino group is replaced by a propan-2-yl group. It has a role as a marine xenobiotic metabolite. 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: CC(C)N=c1[nH]c(Cl)nc(=N)[nH]1

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

InChI: InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)

Molecular Properties:
- Polar Surface Area: 76.7 Ų
- LogP: 1.5