5-benzyl-2-piperazin-1-yl-1H-pyrimidin-6-one

C15H18N4O — CID 118023395

IUPAC5-benzyl-2-piperazin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCNCC2)ncc1Cc1ccccc1
InChIInChI=1S/C15H18N4O/c20-14-13(10-12-4-2-1-3-5-12)11-17-15(18-14)19-8-6-16-7-9-19/h1-5,11,16H,6-10H2,(H,17,18,20)
InChIKeyHQZQWKMZHYUIOF-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.77
Rot. Bonds3

About 5-benzyl-2-piperazin-1-yl-1H-pyrimidin-6-one

5-benzyl-2-piperazin-1-yl-1H-pyrimidin-6-one (PubChem CID 118023395) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-benzyl-2-piperazin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-benzyl-2-piperazin-1-yl-1H-pyrimidin-6-one
PubChem CID118023395
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name5-benzyl-2-piperazin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCNCC2)ncc1Cc1ccccc1
InChIInChI=1S/C15H18N4O/c20-14-13(10-12-4-2-1-3-5-12)11-17-15(18-14)19-8-6-16-7-9-19/h1-5,11,16H,6-10H2,(H,17,18,20)
InChIKeyHQZQWKMZHYUIOF-UHFFFAOYSA-N
XLogP0.77
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-piperazin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-benzyl-2-piperazin-1-yl-1H-pyrimidin-6-one (CID 118023395) is 5-benzyl-2-piperazin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-benzyl-2-piperazin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-benzyl-2-piperazin-1-yl-1H-pyrimidin-6-one is O=c1[nH]c(N2CCNCC2)ncc1Cc1ccccc1.
What is the InChIKey of 5-benzyl-2-piperazin-1-yl-1H-pyrimidin-6-one?
The InChIKey is HQZQWKMZHYUIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-14-13(10-12-4-2-1-3-5-12)11-17-15(18-14)19-8-6-16-7-9-19/h1-5,11,16H,6-10H2,(H,17,18,20).
What are the key properties of 5-benzyl-2-piperazin-1-yl-1H-pyrimidin-6-one?
5-benzyl-2-piperazin-1-yl-1H-pyrimidin-6-one has a molecular weight of 270.34 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-piperazin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 118023395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).