2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one

C12H21N4O2+ — CID 135571630

IUPAC2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CC[NH+](CCO)CC2)[nH]c(=O)c1C
InChIInChI=1S/C12H20N4O2/c1-9-10(2)13-12(14-11(9)18)16-5-3-15(4-6-16)7-8-17/h17H,3-8H2,1-2H3,(H,13,14,18)/p+1
InChIKeyWRXMCBSXZOGIPO-UHFFFAOYSA-O
MW253.33 g/mol
LogP-1.92
Rot. Bonds3

About 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 135571630) has the molecular formula C12H21N4O2+ and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID135571630
Molecular FormulaC12H21N4O2+
Molecular Weight253.33 g/mol
Exact Mass253.17
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CC[NH+](CCO)CC2)[nH]c(=O)c1C
InChIInChI=1S/C12H20N4O2/c1-9-10(2)13-12(14-11(9)18)16-5-3-15(4-6-16)7-8-17/h17H,3-8H2,1-2H3,(H,13,14,18)/p+1
InChIKeyWRXMCBSXZOGIPO-UHFFFAOYSA-O
XLogP-1.92
TPSA73.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-((2-Hydroxyethyl)(methyl)amino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-ol
CID 135408993
4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-N,N-diethylpiperazine-1-carboxamide
CID 135515951
4-hydroxy-5-methyl-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 56976156
2-(2-hydroxyethylamino)-4,5-dimethyl-1H-pyrimidin-6-one
CID 135581426
2-(2-Hydroxyethylamino)-3,5,6-trimethylpyrimidin-4-one
CID 144181816
4-hydroxy-5-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 63556062
3,5,6-Trimethyl-2-(piperazin-1-yl)pyrimidin-4(3H)-one
CID 97619968
4-[2-(2-hydroxyethylamino)ethylamino]-6-methyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one
CID 101627392
5,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4(3H)-one
CID 135400112
2-(4-ethylpiperazin-1-yl)-5,6-dimethylpyrimidin-4(3H)-one
CID 135417578
2-[4-(2-Hydroxyethyl)piperazinyl]-6-methyl-3-hydropyrimidin-4-one
CID 135456291
2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135571619

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 135571630) is 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(N2CC[NH+](CCO)CC2)[nH]c(=O)c1C.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is WRXMCBSXZOGIPO-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H20N4O2/c1-9-10(2)13-12(14-11(9)18)16-5-3-15(4-6-16)7-8-17/h17H,3-8H2,1-2H3,(H,13,14,18)/p+1.
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 253.33 g/mol, XLogP of -1.92, 3 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]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135571630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).