Molecule ID: 10202829

IUPAC Name: 2-N-(3-methoxy-4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine

Description: The molecule is a member of the class of aminopyrimidines that is pyrimidine-2,4-diamine substituted at positions N-2 and N-4 by 3-methoxy-4-(morpholin-4-yl)phenyl and quinolin-3-yl groups respectively. It has a role as an insulin-like growth factor receptor 1 antagonist. It is a member of morpholines, a monomethoxybenzene, an aminoquinoline, an aminopyrimidine, a tertiary amino compound and a secondary amino compound.

SMILES: COc1cc(Nc2nccc(=Nc3cnc4ccccc4c3)[nH]2)ccc1N1CCOCC1

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

InChI: InChI=1S/C24H24N6O2/c1-31-22-15-18(6-7-21(22)30-10-12-32-13-11-30)28-24-25-9-8-23(29-24)27-19-14-17-4-2-3-5-20(17)26-16-19/h2-9,14-16H,10-13H2,1H3,(H2,25,27,28,29)

Molecular Properties:
- Polar Surface Area: 84.4 Ų
- LogP: 3.9