4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one

C14H24N4O2 — CID 63555545

IUPAC4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(C(C)(C)N2CCNCC2)[nH]c1=O
InChIInChI=1S/C14H24N4O2/c1-9(2)10-11(19)16-13(17-12(10)20)14(3,4)18-7-5-15-6-8-18/h9,15H,5-8H2,1-4H3,(H2,16,17,19,20)
InChIKeyXPDARFUFSKTHLG-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.74
Rot. Bonds3

About 4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one

4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 63555545) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID63555545
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(C(C)(C)N2CCNCC2)[nH]c1=O
InChIInChI=1S/C14H24N4O2/c1-9(2)10-11(19)16-13(17-12(10)20)14(3,4)18-7-5-15-6-8-18/h9,15H,5-8H2,1-4H3,(H2,16,17,19,20)
InChIKeyXPDARFUFSKTHLG-UHFFFAOYSA-N
XLogP0.74
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 63555545) is 4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(C(C)(C)N2CCNCC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is XPDARFUFSKTHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9(2)10-11(19)16-13(17-12(10)20)14(3,4)18-7-5-15-6-8-18/h9,15H,5-8H2,1-4H3,(H2,16,17,19,20).
What are the key properties of 4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 280.37 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63555545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).