2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N,7-dimethyl-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C29H30F3N7O — CID 176758493

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N,7-dimethyl-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N,7-dimethyl-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 176758493) has the molecular formula C29H30F3N7O and a molecular weight of 549.60 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N,7-dimethyl-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N,7-dimethyl-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
• PubChem CID: 176758493
• Molecular Formula: C29H30F3N7O
• Molecular Weight: 549.60 g/mol
• Exact Mass: 549.25
• IUPAC Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N,7-dimethyl-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
• SMILES: COc1ncnc(C2CC2)c1-c1nc2c(c(N(C)Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)n1)CCC2C
• InChI: InChI=1S/C29H30F3N7O/c1-16-5-12-20-23(16)36-25(22-24(18-10-11-18)33-15-34-28(22)40-4)37-27(20)38(2)13-17-6-8-19(9-7-17)26-35-21(14-39(26)3)29(30,31)32/h6-9,14-16,18H,5,10-13H2,1-4H3
• InChIKey: OACYUGAHQIYLKA-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 81.85 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.60
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N,7-dimethyl-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?

The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N,7-dimethyl-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 176758493) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N,7-dimethyl-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N,7-dimethyl-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?

The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N,7-dimethyl-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is COc1ncnc(C2CC2)c1-c1nc2c(c(N(C)Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)n1)CCC2C.

What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N,7-dimethyl-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?

The InChIKey is OACYUGAHQIYLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3N7O/c1-16-5-12-20-23(16)36-25(22-24(18-10-11-18)33-15-34-28(22)40-4)37-27(20)38(2)13-17-6-8-19(9-7-17)26-35-21(14-39(26)3)29(30,31)32/h6-9,14-16,18H,5,10-13H2,1-4H3.

What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N,7-dimethyl-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N,7-dimethyl-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 549.60 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N,7-dimethyl-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 176758493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).