cyclopropyl-[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone

C24H31FN4O — CID 83286462

About cyclopropyl-[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone

cyclopropyl-[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 83286462) has the molecular formula C24H31FN4O and a molecular weight of 410.54 g/mol. Its IUPAC name is cyclopropyl-[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclopropyl-[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone
• PubChem CID: 83286462
• Molecular Formula: C24H31FN4O
• Molecular Weight: 410.54 g/mol
• Exact Mass: 410.25
• IUPAC Name: cyclopropyl-[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone
• SMILES: Cc1nc(CC(C)C)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1ccccc1F
• InChI: InChI=1S/C24H31FN4O/c1-16(2)14-22-26-17(3)20(15-19-6-4-5-7-21(19)25)23(27-22)28-10-12-29(13-11-28)24(30)18-8-9-18/h4-7,16,18H,8-15H2,1-3H3
• InChIKey: JZTGEYCULDSUNK-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 49.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.54
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone?

The IUPAC name of cyclopropyl-[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 83286462) is cyclopropyl-[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone.

What is the SMILES notation for cyclopropyl-[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone?

The canonical SMILES for cyclopropyl-[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone is Cc1nc(CC(C)C)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1ccccc1F.

What is the InChIKey of cyclopropyl-[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone?

The InChIKey is JZTGEYCULDSUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O/c1-16(2)14-22-26-17(3)20(15-19-6-4-5-7-21(19)25)23(27-22)28-10-12-29(13-11-28)24(30)18-8-9-18/h4-7,16,18H,8-15H2,1-3H3.

What are the key properties of cyclopropyl-[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone?

cyclopropyl-[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 410.54 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 83286462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).