Molecule ID: 16736529

IUPAC Name: 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]purin-2-amine

Description: The molecule is a member of the class of 2-aminopurines that is 2-aminopurine which is substituted by a chlorine at position 6 and by a (4-methoxy-3,5-dimethylpyridin-2-yl)methyl group at position 9. It has a role as a Hsp90 inhibitor and an antineoplastic agent. It is a member of pyridines, a member of 2-aminopurines, an organochlorine compound and an aromatic ether.

SMILES: COc1c(C)cnc(Cn2cnc3c(Cl)[nH]c(=N)nc32)c1C

SELFIES: [C][O][C][=C][Branch1][C][C][C][=N][C][Branch2][Ring1][Branch1][C][N][C][=N][C][=C][Branch1][C][Cl][NH1][C][=Branch1][C][=N][N][=C][Ring1][Branch2][Ring1][O][=C][Ring2][Ring1][Ring1][C]

InChI: InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)

Molecular Properties:
- Polar Surface Area: 91.7 Ų
- LogP: 1.9