2-(4-benzylpiperazin-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

C17H22N4O2 — CID 666485

IUPAC2-(4-benzylpiperazin-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O
InChIInChI=1S/C17H22N4O2/c1-2-14-15(22)18-17(19-16(14)23)21-10-8-20(9-11-21)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H2,18,19,22,23)
InChIKeyZFIMCJSJHVILLE-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.36
Rot. Bonds4

About 2-(4-benzylpiperazin-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

2-(4-benzylpiperazin-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 666485) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID666485
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-(4-benzylpiperazin-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O
InChIInChI=1S/C17H22N4O2/c1-2-14-15(22)18-17(19-16(14)23)21-10-8-20(9-11-21)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H2,18,19,22,23)
InChIKeyZFIMCJSJHVILLE-UHFFFAOYSA-N
XLogP1.36
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 666485) is 2-(4-benzylpiperazin-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCc1c(O)nc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is ZFIMCJSJHVILLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-14-15(22)18-17(19-16(14)23)21-10-8-20(9-11-21)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H2,18,19,22,23).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-(4-benzylpiperazin-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 314.39 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 666485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).