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

C10H15ClN4O — CID 154810154

Data last refreshed: (MolForge compound catalog, from PubChem)

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

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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).

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