N4-(3,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine

Systemtic Name: N4-(3,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine Openeye Name: N4-(3,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine CAS Name: N4-(3,5-dimethylphenyl)-6-[4-(2-fluorophenyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 4-N-(3,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(2-fluorophenyl)piperazino]pyrimidin-4-yl]-(3,5-dimethylphenyl)amine Formula: C22H25FN6 MolecularWeight: 392.472503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=NC(=C2N)N3CCN(CC3)C4=CC=CC=C4F)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=NC(=C2N)N3CCN(CC3)C4=CC=CC=C4F)C

InChI

InChI=1S/C22H25FN6/c1-15-11-16(2)13-17(12-15)27-21-20(24)22(26-14-25-21)29-9-7-28(8-10-29)19-6-4-3-5-18(19)23/h3-6,11-14H,7-10,24H2,1-2H3,(H,25,26,27)