3-cyclopentyl-1-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]propan-1-one

C24H33N5O — CID 122348357

About 3-cyclopentyl-1-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]propan-1-one

3-cyclopentyl-1-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]propan-1-one (PubChem CID 122348357) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-cyclopentyl-1-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
• PubChem CID: 122348357
• Molecular Formula: C24H33N5O
• Molecular Weight: 407.56 g/mol
• Exact Mass: 407.27
• IUPAC Name: 3-cyclopentyl-1-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
• SMILES: Cc1ccc(Nc2nc(C)cc(N3CCN(C(=O)CCC4CCCC4)CC3)n2)cc1
• InChI: InChI=1S/C24H33N5O/c1-18-7-10-21(11-8-18)26-24-25-19(2)17-22(27-24)28-13-15-29(16-14-28)23(30)12-9-20-5-3-4-6-20/h7-8,10-11,17,20H,3-6,9,12-16H2,1-2H3,(H,25,26,27)
• InChIKey: SPKRPHFWLBFTJI-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.56
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]propan-1-one?

The IUPAC name of 3-cyclopentyl-1-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]propan-1-one (CID 122348357) is 3-cyclopentyl-1-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]propan-1-one.

What is the SMILES notation for 3-cyclopentyl-1-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]propan-1-one?

The canonical SMILES for 3-cyclopentyl-1-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]propan-1-one is Cc1ccc(Nc2nc(C)cc(N3CCN(C(=O)CCC4CCCC4)CC3)n2)cc1.

What is the InChIKey of 3-cyclopentyl-1-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]propan-1-one?

The InChIKey is SPKRPHFWLBFTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-18-7-10-21(11-8-18)26-24-25-19(2)17-22(27-24)28-13-15-29(16-14-28)23(30)12-9-20-5-3-4-6-20/h7-8,10-11,17,20H,3-6,9,12-16H2,1-2H3,(H,25,26,27).

What are the key properties of 3-cyclopentyl-1-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]propan-1-one?

3-cyclopentyl-1-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]propan-1-one has a molecular weight of 407.56 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-1-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 122348357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).