Molecule ID: 91828205

IUPAC Name: 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine;hydron

Description: The molecule is an ammonium ion resulting from the addition of two protons to the free base of PF-670462. It is a conjugate acid of a PF-670462 free base.

SMILES: [NH2+]=C1N=C(c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)C=C[NH2+]1

SELFIES: [NH2+1][=C][N][=C][Branch2][Ring1][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][NH2+1][Ring2][Ring1][Branch2]

InChI: InChI=1S/C19H20FN5/c20-14-8-6-13(7-9-14)17-18(16-10-11-22-19(21)24-16)25(12-23-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,21,22,24)/p+2

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: nan