Molecule ID: 213043

IUPAC Name: 5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine

Description: The molecule is an aminopyrimidine that is 5-methylpyrimidine-2,4-diamine in which one of the hydrogens of the methyl group has been replaced by a 2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl group. It is an aminopyrimidine, a member of chromenes and a member of cyclopropanes.

SMILES: COc1cc(Cc2c[nH]c(=N)[nH]c2=N)c2c(c1OC)OC(C1CC1)C=C2

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

InChI: InChI=1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)

Molecular Properties:
- Polar Surface Area: 106.0 Ų
- LogP: 2.5