1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C10H14N4O — CID 5134238

IUPAC1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H14N4O/c1-9(15)13-5-7-14(8-6-13)10-11-3-2-4-12-10/h2-4H,5-8H2,1H3
InChIKeyQRHUKMHXJVIOAG-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.15
Rot. Bonds1

About 1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 5134238) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID5134238
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H14N4O/c1-9(15)13-5-7-14(8-6-13)10-11-3-2-4-12-10/h2-4H,5-8H2,1H3
InChIKeyQRHUKMHXJVIOAG-UHFFFAOYSA-N
XLogP0.15
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 5134238) is 1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is CC(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is QRHUKMHXJVIOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-9(15)13-5-7-14(8-6-13)10-11-3-2-4-12-10/h2-4H,5-8H2,1H3.
What are the key properties of 1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 206.25 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 5134238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).