1-[4-[(7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one

C25H32F3N5O2 — CID 67381472

About 1-[4-[(7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one

1-[4-[(7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 67381472) has the molecular formula C25H32F3N5O2 and a molecular weight of 491.56 g/mol. Its IUPAC name is 1-[4-[(7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

• Compound Name: 1-[4-[(7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one
• PubChem CID: 67381472
• Molecular Formula: C25H32F3N5O2
• Molecular Weight: 491.56 g/mol
• Exact Mass: 491.25
• IUPAC Name: 1-[4-[(7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one
• SMILES: CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)C[C@H]3O)CC1)c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C25H32F3N5O2/c1-15(2)29-13-19(17-4-6-18(7-5-17)25(26,27)28)24(35)33-10-8-32(9-11-33)23-21-16(3)12-20(34)22(21)30-14-31-23/h4-7,14-16,19-20,29,34H,8-13H2,1-3H3/t16?,19?,20-/m1/s1
• InChIKey: PKHGVGANARDXNX-RRWXTXHCSA-N
• XLogP: 3.47
• TPSA: 81.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.56
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one?

The IUPAC name of 1-[4-[(7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one (CID 67381472) is 1-[4-[(7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one.

What is the SMILES notation for 1-[4-[(7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one?

The canonical SMILES for 1-[4-[(7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one is CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)C[C@H]3O)CC1)c1ccc(C(F)(F)F)cc1.

What is the InChIKey of 1-[4-[(7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one?

The InChIKey is PKHGVGANARDXNX-RRWXTXHCSA-N. The full InChI is InChI=1S/C25H32F3N5O2/c1-15(2)29-13-19(17-4-6-18(7-5-17)25(26,27)28)24(35)33-10-8-32(9-11-33)23-21-16(3)12-20(34)22(21)30-14-31-23/h4-7,14-16,19-20,29,34H,8-13H2,1-3H3/t16?,19?,20-/m1/s1.

What are the key properties of 1-[4-[(7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one?

1-[4-[(7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 491.56 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 67381472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).