3-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

C14H18N6O — CID 110697892

IUPAC3-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1cnc[nH]1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H18N6O/c21-13(3-2-12-10-15-11-18-12)19-6-8-20(9-7-19)14-16-4-1-5-17-14/h1,4-5,10-11H,2-3,6-9H2,(H,15,18)
InChIKeyBEEOJFMBFLVDHC-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.48
Rot. Bonds4

About 3-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

3-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 110697892) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID110697892
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name3-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1cnc[nH]1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H18N6O/c21-13(3-2-12-10-15-11-18-12)19-6-8-20(9-7-19)14-16-4-1-5-17-14/h1,4-5,10-11H,2-3,6-9H2,(H,15,18)
InChIKeyBEEOJFMBFLVDHC-UHFFFAOYSA-N
XLogP0.48
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

3-(1H-imidazol-5-yl)-1-piperidin-1-ylpropan-1-one
CID 110697826
3-(1H-imidazol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110697885
3-(1H-imidazol-5-yl)-1-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 166247184
4-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 119827999
methyl 4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoate
CID 110756099
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603
3-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110854951
1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 36873080
2-(2-hydroxyethylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 29022062
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 110688001
4-[2-(1H-imidazol-5-yl)acetyl]piperazine-1-carboxylic acid
CID 57226807

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one (CID 110697892) is 3-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one is O=C(CCc1cnc[nH]1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is BEEOJFMBFLVDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c21-13(3-2-12-10-15-11-18-12)19-6-8-20(9-7-19)14-16-4-1-5-17-14/h1,4-5,10-11H,2-3,6-9H2,(H,15,18).
What are the key properties of 3-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
3-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 286.34 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 110697892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).