4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine

C32H34F3N7O2 — CID 178074563

About 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine

4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine (PubChem CID 178074563) has the molecular formula C32H34F3N7O2 and a molecular weight of 605.67 g/mol. Its IUPAC name is 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine.

Molecular Properties

• Compound Name: 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine
• PubChem CID: 178074563
• Molecular Formula: C32H34F3N7O2
• Molecular Weight: 605.67 g/mol
• Exact Mass: 605.27
• IUPAC Name: 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine
• SMILES: COc1ncnc(C2CC2)c1-c1nc2c(c(N3CCOCC3c3ccc(-c4nc(C(F)(F)F)cn4C(C)C)cc3)n1)CCC2
• InChI: InChI=1S/C32H34F3N7O2/c1-18(2)42-15-25(32(33,34)35)39-29(42)21-11-7-19(8-12-21)24-16-44-14-13-41(24)30-22-5-4-6-23(22)38-28(40-30)26-27(20-9-10-20)36-17-37-31(26)43-3/h7-8,11-12,15,17-18,20,24H,4-6,9-10,13-14,16H2,1-3H3
• InChIKey: KAGKTAIROTXTRW-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 91.08 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.67
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine?

The IUPAC name of 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine (CID 178074563) is 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine.

What is the SMILES notation for 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine?

The canonical SMILES for 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine is COc1ncnc(C2CC2)c1-c1nc2c(c(N3CCOCC3c3ccc(-c4nc(C(F)(F)F)cn4C(C)C)cc3)n1)CCC2.

What is the InChIKey of 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine?

The InChIKey is KAGKTAIROTXTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N7O2/c1-18(2)42-15-25(32(33,34)35)39-29(42)21-11-7-19(8-12-21)24-16-44-14-13-41(24)30-22-5-4-6-23(22)38-28(40-30)26-27(20-9-10-20)36-17-37-31(26)43-3/h7-8,11-12,15,17-18,20,24H,4-6,9-10,13-14,16H2,1-3H3.

What are the key properties of 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine?

4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine has a molecular weight of 605.67 g/mol, XLogP of 6.35, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine is sourced from PubChem (CID 178074563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).