2-(2,5-dimethylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide

C20H23N7OS — CID 57428345

IUPAC2-(2,5-dimethylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
SMILESCC1CN(CC(=O)Nc2cc(-c3nccs3)nc(-c3ccccn3)n2)C(C)CN1
InChIInChI=1S/C20H23N7OS/c1-13-11-27(14(2)10-23-13)12-18(28)25-17-9-16(20-22-7-8-29-20)24-19(26-17)15-5-3-4-6-21-15/h3-9,13-14,23H,10-12H2,1-2H3,(H,24,25,26,28)
InChIKeyXNEQDWDAULHMPL-UHFFFAOYSA-N
MW409.52 g/mol
LogP2.28
Rot. Bonds5

About 2-(2,5-dimethylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide

2-(2,5-dimethylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide (PubChem CID 57428345) has the molecular formula C20H23N7OS and a molecular weight of 409.52 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
PubChem CID57428345
Molecular FormulaC20H23N7OS
Molecular Weight409.52 g/mol
Exact Mass409.17
IUPAC Name2-(2,5-dimethylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
SMILESCC1CN(CC(=O)Nc2cc(-c3nccs3)nc(-c3ccccn3)n2)C(C)CN1
InChIInChI=1S/C20H23N7OS/c1-13-11-27(14(2)10-23-13)12-18(28)25-17-9-16(20-22-7-8-29-20)24-19(26-17)15-5-3-4-6-21-15/h3-9,13-14,23H,10-12H2,1-2H3,(H,24,25,26,28)
InChIKeyXNEQDWDAULHMPL-UHFFFAOYSA-N
XLogP2.28
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide (CID 57428345) is 2-(2,5-dimethylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(2,5-dimethylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide is CC1CN(CC(=O)Nc2cc(-c3nccs3)nc(-c3ccccn3)n2)C(C)CN1.
What is the InChIKey of 2-(2,5-dimethylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The InChIKey is XNEQDWDAULHMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7OS/c1-13-11-27(14(2)10-23-13)12-18(28)25-17-9-16(20-22-7-8-29-20)24-19(26-17)15-5-3-4-6-21-15/h3-9,13-14,23H,10-12H2,1-2H3,(H,24,25,26,28).
What are the key properties of 2-(2,5-dimethylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
2-(2,5-dimethylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide has a molecular weight of 409.52 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperazin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 57428345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).