1-(4-piperazin-1-ylpyrimidin-5-yl)ethanone

C10H14N4O — CID 67834319

IUPAC1-(4-piperazin-1-ylpyrimidin-5-yl)ethanone
SMILESCC(=O)c1cncnc1N1CCNCC1
InChIInChI=1S/C10H14N4O/c1-8(15)9-6-12-7-13-10(9)14-4-2-11-3-5-14/h6-7,11H,2-5H2,1H3
InChIKeyKCKFKAFKNOGHMN-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.09
Rot. Bonds2

About 1-(4-piperazin-1-ylpyrimidin-5-yl)ethanone

1-(4-piperazin-1-ylpyrimidin-5-yl)ethanone (PubChem CID 67834319) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-(4-piperazin-1-ylpyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-piperazin-1-ylpyrimidin-5-yl)ethanone
PubChem CID67834319
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name1-(4-piperazin-1-ylpyrimidin-5-yl)ethanone
SMILESCC(=O)c1cncnc1N1CCNCC1
InChIInChI=1S/C10H14N4O/c1-8(15)9-6-12-7-13-10(9)14-4-2-11-3-5-14/h6-7,11H,2-5H2,1H3
InChIKeyKCKFKAFKNOGHMN-UHFFFAOYSA-N
XLogP0.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-piperazin-1-ylpyrimidin-5-yl)ethanone?
The IUPAC name of 1-(4-piperazin-1-ylpyrimidin-5-yl)ethanone (CID 67834319) is 1-(4-piperazin-1-ylpyrimidin-5-yl)ethanone.
What is the SMILES notation for 1-(4-piperazin-1-ylpyrimidin-5-yl)ethanone?
The canonical SMILES for 1-(4-piperazin-1-ylpyrimidin-5-yl)ethanone is CC(=O)c1cncnc1N1CCNCC1.
What is the InChIKey of 1-(4-piperazin-1-ylpyrimidin-5-yl)ethanone?
The InChIKey is KCKFKAFKNOGHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-8(15)9-6-12-7-13-10(9)14-4-2-11-3-5-14/h6-7,11H,2-5H2,1H3.
What are the key properties of 1-(4-piperazin-1-ylpyrimidin-5-yl)ethanone?
1-(4-piperazin-1-ylpyrimidin-5-yl)ethanone has a molecular weight of 206.25 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperazin-1-ylpyrimidin-5-yl)ethanone is sourced from PubChem (CID 67834319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).