1-(2-piperazin-1-ylpyrimidin-5-yl)ethanone;hydrochloride

C10H15ClN4O — CID 154810154

IUPAC1-(2-piperazin-1-ylpyrimidin-5-yl)ethanone;hydrochloride
SMILESCC(=O)c1cnc(N2CCNCC2)nc1.Cl
InChIInChI=1S/C10H14N4O.ClH/c1-8(15)9-6-12-10(13-7-9)14-4-2-11-3-5-14;/h6-7,11H,2-5H2,1H3;1H
InChIKeyRFXQVDODORPBJW-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.51
Rot. Bonds2

About 1-(2-piperazin-1-ylpyrimidin-5-yl)ethanone;hydrochloride

1-(2-piperazin-1-ylpyrimidin-5-yl)ethanone;hydrochloride (PubChem CID 154810154) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 1-(2-piperazin-1-ylpyrimidin-5-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(2-piperazin-1-ylpyrimidin-5-yl)ethanone;hydrochloride
PubChem CID154810154
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name1-(2-piperazin-1-ylpyrimidin-5-yl)ethanone;hydrochloride
SMILESCC(=O)c1cnc(N2CCNCC2)nc1.Cl
InChIInChI=1S/C10H14N4O.ClH/c1-8(15)9-6-12-10(13-7-9)14-4-2-11-3-5-14;/h6-7,11H,2-5H2,1H3;1H
InChIKeyRFXQVDODORPBJW-UHFFFAOYSA-N
XLogP0.51
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-piperazin-1-ylpyrimidin-5-yl)ethanone;hydrochloride 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

ethane;(4-fluorophenyl)-(2-piperazin-1-ylpyrimidin-5-yl)methanone
CID 155711023
5-bromo-2-piperazin-1-ylpyrimidine;ethane
CID 143817069
1-(6-methyl-3-pyridinyl)ethanone;piperazine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone
CID 160768600
4-(2-piperazin-1-ylpyrimidin-5-yl)benzamide
CID 135146176
2-piperazin-1-yl-5-propan-2-ylpyrimidine
CID 103278323
5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane
CID 145233053
5-nitro-2-piperazin-1-ylpyrimidine;hydrochloride
CID 171935098
(2-piperazin-1-ylpyrimidin-5-yl)boronic acid;2,2,2-trifluoroacetic acid
CID 170905245
ethane;1-(4-piperazin-1-ylphenyl)ethanone
CID 142085748
ethane;1-[2-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-5-yl]ethanone;methane
CID 165134657
5-(2,2-dimethylpropyl)-2-piperazin-1-ylpyrimidine
CID 117224212
1-(5-piperazin-1-yl-2-pyridinyl)ethanone
CID 79020099

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperazin-1-ylpyrimidin-5-yl)ethanone;hydrochloride?
The IUPAC name of 1-(2-piperazin-1-ylpyrimidin-5-yl)ethanone;hydrochloride (CID 154810154) is 1-(2-piperazin-1-ylpyrimidin-5-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(2-piperazin-1-ylpyrimidin-5-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(2-piperazin-1-ylpyrimidin-5-yl)ethanone;hydrochloride is CC(=O)c1cnc(N2CCNCC2)nc1.Cl.
What is the InChIKey of 1-(2-piperazin-1-ylpyrimidin-5-yl)ethanone;hydrochloride?
The InChIKey is RFXQVDODORPBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O.ClH/c1-8(15)9-6-12-10(13-7-9)14-4-2-11-3-5-14;/h6-7,11H,2-5H2,1H3;1H.
What are the key properties of 1-(2-piperazin-1-ylpyrimidin-5-yl)ethanone;hydrochloride?
1-(2-piperazin-1-ylpyrimidin-5-yl)ethanone;hydrochloride has a molecular weight of 242.71 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperazin-1-ylpyrimidin-5-yl)ethanone;hydrochloride is sourced from PubChem (CID 154810154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).