2-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C13H16N6O — CID 110684121

IUPAC2-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1cnc[nH]1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H16N6O/c20-12(8-11-9-14-10-17-11)18-4-6-19(7-5-18)13-15-2-1-3-16-13/h1-3,9-10H,4-8H2,(H,14,17)
InChIKeyOQUCHNDDMULIIY-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.09
Rot. Bonds3

About 2-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 110684121) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID110684121
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name2-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1cnc[nH]1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H16N6O/c20-12(8-11-9-14-10-17-11)18-4-6-19(7-5-18)13-15-2-1-3-16-13/h1-3,9-10H,4-8H2,(H,14,17)
InChIKeyOQUCHNDDMULIIY-UHFFFAOYSA-N
XLogP0.09
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone 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 2-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 110684121) is 2-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(Cc1cnc[nH]1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is OQUCHNDDMULIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c20-12(8-11-9-14-10-17-11)18-4-6-19(7-5-18)13-15-2-1-3-16-13/h1-3,9-10H,4-8H2,(H,14,17).
What are the key properties of 2-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 272.31 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110684121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).