Molecule ID: 62389

IUPAC Name: N-benzyl-7H-purin-6-amine

Description: The molecule is a member of the class of 6-aminopurines that is adenine in which one of the hydrogens of the amino group is replaced by a benzyl group. It has a role as a plant metabolite and a cytokinin. It derives from an adenine.

SMILES: c1ccc(CNc2nc[nH]c3ncnc2-3)cc1

SELFIES: [C][=C][C][=C][Branch1][S][C][N][C][N][=C][NH1][C][=N][C][=N][C][=Ring1][=Branch2][Ring1][Branch1][C][=C][Ring1][P]

InChI: InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)

Molecular Properties:
- Polar Surface Area: 66.5 Ų
- LogP: 2.1