Molecule ID: 16722154

IUPAC Name: 2-[3-(aminomethyl)anilino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one

Description: The molecule is an analogue of PD173955 where the methylmercapto group is replaced by aminomethyl. It is a pyridopyrimidine and a dichlorobenzene. It derives from a PD173955.

SMILES: Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2c[nH]c(=Nc3cccc(CN)c3)nc21

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

InChI: InChI=1S/C21H17Cl2N5O/c1-28-19-13(9-15(20(28)29)18-16(22)6-3-7-17(18)23)11-25-21(27-19)26-14-5-2-4-12(8-14)10-24/h2-9,11H,10,24H2,1H3,(H,25,26,27)

Molecular Properties:
- Polar Surface Area: 84.1 Ų
- LogP: 3.8