2-(4-methylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide

C19H21N7OS — CID 57428349

IUPAC2-(4-methylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
SMILESCN1CCN(CC(=O)Nc2cc(-c3nccs3)nc(-c3ccccn3)n2)CC1
InChIInChI=1S/C19H21N7OS/c1-25-7-9-26(10-8-25)13-17(27)23-16-12-15(19-21-6-11-28-19)22-18(24-16)14-4-2-3-5-20-14/h2-6,11-12H,7-10,13H2,1H3,(H,22,23,24,27)
InChIKeyARAAFNCCJIYERD-UHFFFAOYSA-N
MW395.49 g/mol
LogP1.85
Rot. Bonds5

About 2-(4-methylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide

2-(4-methylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide (PubChem CID 57428349) has the molecular formula C19H21N7OS and a molecular weight of 395.49 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
PubChem CID57428349
Molecular FormulaC19H21N7OS
Molecular Weight395.49 g/mol
Exact Mass395.15
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
SMILESCN1CCN(CC(=O)Nc2cc(-c3nccs3)nc(-c3ccccn3)n2)CC1
InChIInChI=1S/C19H21N7OS/c1-25-7-9-26(10-8-25)13-17(27)23-16-12-15(19-21-6-11-28-19)22-18(24-16)14-4-2-3-5-20-14/h2-6,11-12H,7-10,13H2,1H3,(H,22,23,24,27)
InChIKeyARAAFNCCJIYERD-UHFFFAOYSA-N
XLogP1.85
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide (CID 57428349) is 2-(4-methylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide is CN1CCN(CC(=O)Nc2cc(-c3nccs3)nc(-c3ccccn3)n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The InChIKey is ARAAFNCCJIYERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7OS/c1-25-7-9-26(10-8-25)13-17(27)23-16-12-15(19-21-6-11-28-19)22-18(24-16)14-4-2-3-5-20-14/h2-6,11-12H,7-10,13H2,1H3,(H,22,23,24,27).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
2-(4-methylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide has a molecular weight of 395.49 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 57428349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).