5-ethyl-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one

C12H20N4O2 — CID 63553572

IUPAC5-ethyl-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C(C)N2CCNCC2)[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-3-9-11(17)14-10(15-12(9)18)8(2)16-6-4-13-5-7-16/h8,13H,3-7H2,1-2H3,(H2,14,15,17,18)
InChIKeyAGLOQTZTAUIETI-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.00
Rot. Bonds3

About 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one

5-ethyl-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one (PubChem CID 63553572) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
PubChem CID63553572
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-ethyl-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C(C)N2CCNCC2)[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-3-9-11(17)14-10(15-12(9)18)8(2)16-6-4-13-5-7-16/h8,13H,3-7H2,1-2H3,(H2,14,15,17,18)
InChIKeyAGLOQTZTAUIETI-UHFFFAOYSA-N
XLogP0.00
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylethyl)-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 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one (CID 63553572) is 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one is CCc1c(O)nc(C(C)N2CCNCC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one?
The InChIKey is AGLOQTZTAUIETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-9-11(17)14-10(15-12(9)18)8(2)16-6-4-13-5-7-16/h8,13H,3-7H2,1-2H3,(H2,14,15,17,18).
What are the key properties of 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63553572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).