cyclopropyl-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone

C25H34N4O — CID 83280422

About cyclopropyl-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone

cyclopropyl-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 83280422) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is cyclopropyl-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclopropyl-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone
• PubChem CID: 83280422
• Molecular Formula: C25H34N4O
• Molecular Weight: 406.57 g/mol
• Exact Mass: 406.27
• IUPAC Name: cyclopropyl-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone
• SMILES: Cc1cccc(Cc2c(C)nc(CC(C)C)nc2N2CCN(C(=O)C3CC3)CC2)c1
• InChI: InChI=1S/C25H34N4O/c1-17(2)14-23-26-19(4)22(16-20-7-5-6-18(3)15-20)24(27-23)28-10-12-29(13-11-28)25(30)21-8-9-21/h5-7,15,17,21H,8-14,16H2,1-4H3
• InChIKey: ZXMADJWIUQFIEC-UHFFFAOYSA-N
• XLogP: 3.94
• 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	406.57
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone?

The IUPAC name of cyclopropyl-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 83280422) is cyclopropyl-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone.

What is the SMILES notation for cyclopropyl-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone?

The canonical SMILES for cyclopropyl-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone is Cc1cccc(Cc2c(C)nc(CC(C)C)nc2N2CCN(C(=O)C3CC3)CC2)c1.

What is the InChIKey of cyclopropyl-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone?

The InChIKey is ZXMADJWIUQFIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O/c1-17(2)14-23-26-19(4)22(16-20-7-5-6-18(3)15-20)24(27-23)28-10-12-29(13-11-28)25(30)21-8-9-21/h5-7,15,17,21H,8-14,16H2,1-4H3.

What are the key properties of cyclopropyl-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone?

cyclopropyl-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 406.57 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 83280422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).