N-methyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(thiophen-3-ylmethyl)acetamide

C20H29N5OS — CID 34907845

About N-methyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(thiophen-3-ylmethyl)acetamide

N-methyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 34907845) has the molecular formula C20H29N5OS and a molecular weight of 387.55 g/mol. Its IUPAC name is N-methyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-methyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(thiophen-3-ylmethyl)acetamide
• PubChem CID: 34907845
• Molecular Formula: C20H29N5OS
• Molecular Weight: 387.55 g/mol
• Exact Mass: 387.21
• IUPAC Name: N-methyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(thiophen-3-ylmethyl)acetamide
• SMILES: Cc1cc(N2CCN(CC(=O)N(C)Cc3ccsc3)CC2)nc(C(C)C)n1
• InChI: InChI=1S/C20H29N5OS/c1-15(2)20-21-16(3)11-18(22-20)25-8-6-24(7-9-25)13-19(26)23(4)12-17-5-10-27-14-17/h5,10-11,14-15H,6-9,12-13H2,1-4H3
• InChIKey: SOQJXJQAEZTNHS-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 52.57 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.55
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(thiophen-3-ylmethyl)acetamide?

The IUPAC name of N-methyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(thiophen-3-ylmethyl)acetamide (CID 34907845) is N-methyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(thiophen-3-ylmethyl)acetamide.

What is the SMILES notation for N-methyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(thiophen-3-ylmethyl)acetamide?

The canonical SMILES for N-methyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(thiophen-3-ylmethyl)acetamide is Cc1cc(N2CCN(CC(=O)N(C)Cc3ccsc3)CC2)nc(C(C)C)n1.

What is the InChIKey of N-methyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(thiophen-3-ylmethyl)acetamide?

The InChIKey is SOQJXJQAEZTNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5OS/c1-15(2)20-21-16(3)11-18(22-20)25-8-6-24(7-9-25)13-19(26)23(4)12-17-5-10-27-14-17/h5,10-11,14-15H,6-9,12-13H2,1-4H3.

What are the key properties of N-methyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(thiophen-3-ylmethyl)acetamide?

N-methyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 387.55 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 34907845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).