2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one

C13H23N4O2+ — CID 135571624

IUPAC2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(N2CC[NH+](CCO)CC2)n1
InChIInChI=1S/C13H22N4O2/c1-10(2)11-9-12(19)15-13(14-11)17-5-3-16(4-6-17)7-8-18/h9-10,18H,3-8H2,1-2H3,(H,14,15,19)/p+1
InChIKeyOWMRILPNYSVFLK-UHFFFAOYSA-O
MW267.35 g/mol
LogP-1.41
Rot. Bonds4

About 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one

2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 135571624) has the molecular formula C13H23N4O2+ and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID135571624
Molecular FormulaC13H23N4O2+
Molecular Weight267.35 g/mol
Exact Mass267.18
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(N2CC[NH+](CCO)CC2)n1
InChIInChI=1S/C13H22N4O2/c1-10(2)11-9-12(19)15-13(14-11)17-5-3-16(4-6-17)7-8-18/h9-10,18H,3-8H2,1-2H3,(H,14,15,19)/p+1
InChIKeyOWMRILPNYSVFLK-UHFFFAOYSA-O
XLogP-1.41
TPSA73.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-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 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one (CID 135571624) is 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1cc(=O)[nH]c(N2CC[NH+](CCO)CC2)n1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is OWMRILPNYSVFLK-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H22N4O2/c1-10(2)11-9-12(19)15-13(14-11)17-5-3-16(4-6-17)7-8-18/h9-10,18H,3-8H2,1-2H3,(H,14,15,19)/p+1.
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 267.35 g/mol, XLogP of -1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135571624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).