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

C13H23N4O2+ — CID 135571620

IUPAC2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(N2CC[NH+](CCO)CC2)n1
InChIInChI=1S/C13H22N4O2/c1-2-3-11-10-12(19)15-13(14-11)17-6-4-16(5-7-17)8-9-18/h10,18H,2-9H2,1H3,(H,14,15,19)/p+1
InChIKeyGPZVVJGVNJEVGM-UHFFFAOYSA-O
MW267.35 g/mol
LogP-1.58
Rot. Bonds5

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

2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propyl-1H-pyrimidin-6-one (PubChem CID 135571620) 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-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propyl-1H-pyrimidin-6-one
PubChem CID135571620
Molecular FormulaC13H23N4O2+
Molecular Weight267.35 g/mol
Exact Mass267.18
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(N2CC[NH+](CCO)CC2)n1
InChIInChI=1S/C13H22N4O2/c1-2-3-11-10-12(19)15-13(14-11)17-6-4-16(5-7-17)8-9-18/h10,18H,2-9H2,1H3,(H,14,15,19)/p+1
InChIKeyGPZVVJGVNJEVGM-UHFFFAOYSA-O
XLogP-1.58
TPSA73.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-butyl-2-(4-morpholinyl)-4(3H)-pyrimidinone
CID 135990496
2-(4-morpholinyl)-6-propyl-4(3H)-pyrimidinone
CID 135637369
2-[4-ethyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 53201024
6-Ethyl-3-methyl-2-(piperazin-1-yl)pyrimidin-4(3H)-one
CID 97619957
2-(2,5-dimethylpiperazin-1-yl)-4-ethyl-1H-pyrimidin-6-one
CID 135430092
2-[4-(2-Hydroxyethyl)piperazinyl]-6-methyl-3-hydropyrimidin-4-one
CID 135456291
2-[4-(2-Hydroxyethyl)piperazinyl]-6-propyl-3-hydropyrimidin-4-one
CID 135456338
2-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4(3H)-one
CID 135465197
6-Ethyl-2-(piperazin-1-yl)pyrimidin-4(1H)-one
CID 135478199
2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135571619
2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 135571624
2-[4-(2-Hydroxyethyl)piperazinyl]-6-(methylethyl)-3-hydropyrimidin-4-one
CID 135571625

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propyl-1H-pyrimidin-6-one (CID 135571620) is 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(N2CC[NH+](CCO)CC2)n1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propyl-1H-pyrimidin-6-one?
The InChIKey is GPZVVJGVNJEVGM-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H22N4O2/c1-2-3-11-10-12(19)15-13(14-11)17-6-4-16(5-7-17)8-9-18/h10,18H,2-9H2,1H3,(H,14,15,19)/p+1.
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propyl-1H-pyrimidin-6-one?
2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-propyl-1H-pyrimidin-6-one has a molecular weight of 267.35 g/mol, XLogP of -1.58, 5 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-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135571620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).