N-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide

C16H23N7O — CID 25210257

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(N2CCN(C)CC2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H23N7O/c1-11-9-12(2)23(20-11)16-18-14(17-13(3)24)10-15(19-16)22-7-5-21(4)6-8-22/h9-10H,5-8H2,1-4H3,(H,17,18,19,24)
InChIKeyWSJKENGAIRXRGV-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.99
Rot. Bonds3

About N-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide (PubChem CID 25210257) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
PubChem CID25210257
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(N2CCN(C)CC2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H23N7O/c1-11-9-12(2)23(20-11)16-18-14(17-13(3)24)10-15(19-16)22-7-5-21(4)6-8-22/h9-10H,5-8H2,1-4H3,(H,17,18,19,24)
InChIKeyWSJKENGAIRXRGV-UHFFFAOYSA-N
XLogP0.99
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide (CID 25210257) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(N2CCN(C)CC2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide?
The InChIKey is WSJKENGAIRXRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-11-9-12(2)23(20-11)16-18-14(17-13(3)24)10-15(19-16)22-7-5-21(4)6-8-22/h9-10H,5-8H2,1-4H3,(H,17,18,19,24).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide has a molecular weight of 329.41 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 25210257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).