2-(4-methylpiperazin-1-yl)-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide

C20H22N6OS — CID 24768405

IUPAC2-(4-methylpiperazin-1-yl)-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2cc(-c3ccccn3)nc(-c3cccs3)n2)CC1
InChIInChI=1S/C20H22N6OS/c1-25-8-10-26(11-9-25)14-19(27)23-18-13-16(15-5-2-3-7-21-15)22-20(24-18)17-6-4-12-28-17/h2-7,12-13H,8-11,14H2,1H3,(H,22,23,24,27)
InChIKeyQFYGWYSCRHAECE-UHFFFAOYSA-N
MW394.50 g/mol
LogP2.45
Rot. Bonds5

About 2-(4-methylpiperazin-1-yl)-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide

2-(4-methylpiperazin-1-yl)-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide (PubChem CID 24768405) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide
PubChem CID24768405
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2cc(-c3ccccn3)nc(-c3cccs3)n2)CC1
InChIInChI=1S/C20H22N6OS/c1-25-8-10-26(11-9-25)14-19(27)23-18-13-16(15-5-2-3-7-21-15)22-20(24-18)17-6-4-12-28-17/h2-7,12-13H,8-11,14H2,1H3,(H,22,23,24,27)
InChIKeyQFYGWYSCRHAECE-UHFFFAOYSA-N
XLogP2.45
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide (CID 24768405) is 2-(4-methylpiperazin-1-yl)-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide is CN1CCN(CC(=O)Nc2cc(-c3ccccn3)nc(-c3cccs3)n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide?
The InChIKey is QFYGWYSCRHAECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6OS/c1-25-8-10-26(11-9-25)14-19(27)23-18-13-16(15-5-2-3-7-21-15)22-20(24-18)17-6-4-12-28-17/h2-7,12-13H,8-11,14H2,1H3,(H,22,23,24,27).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide?
2-(4-methylpiperazin-1-yl)-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide has a molecular weight of 394.50 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 24768405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).