2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one

C12H20N4O — CID 63362943

IUPAC2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
SMILESCCCC(c1nccc(=O)[nH]1)N1CCNCC1
InChIInChI=1S/C12H20N4O/c1-2-3-10(16-8-6-13-7-9-16)12-14-5-4-11(17)15-12/h4-5,10,13H,2-3,6-9H2,1H3,(H,14,15,17)
InChIKeyOLWUKBIGLYRXIP-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.52
Rot. Bonds4

About 2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one

2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one (PubChem CID 63362943) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
PubChem CID63362943
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
SMILESCCCC(c1nccc(=O)[nH]1)N1CCNCC1
InChIInChI=1S/C12H20N4O/c1-2-3-10(16-8-6-13-7-9-16)12-14-5-4-11(17)15-12/h4-5,10,13H,2-3,6-9H2,1H3,(H,14,15,17)
InChIKeyOLWUKBIGLYRXIP-UHFFFAOYSA-N
XLogP0.52
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one (CID 63362943) is 2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one is CCCC(c1nccc(=O)[nH]1)N1CCNCC1.
What is the InChIKey of 2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one?
The InChIKey is OLWUKBIGLYRXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-3-10(16-8-6-13-7-9-16)12-14-5-4-11(17)15-12/h4-5,10,13H,2-3,6-9H2,1H3,(H,14,15,17).
What are the key properties of 2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one?
2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63362943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).