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

C11H18N4O2 — CID 135456291

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN(CCO)CC2)n1
InChIInChI=1S/C11H18N4O2/c1-9-8-10(17)13-11(12-9)15-4-2-14(3-5-15)6-7-16/h8,16H,2-7H2,1H3,(H,12,13,17)
InChIKeyLHDBKNPDTHFLEF-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.81
Rot. Bonds3

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

2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135456291) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135456291
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN(CCO)CC2)n1
InChIInChI=1S/C11H18N4O2/c1-9-8-10(17)13-11(12-9)15-4-2-14(3-5-15)6-7-16/h8,16H,2-7H2,1H3,(H,12,13,17)
InChIKeyLHDBKNPDTHFLEF-UHFFFAOYSA-N
XLogP-0.81
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Methyl-2-(4-morpholinyl)-4(3H)-pyrimidinone
CID 135418934
6-Methyl-2-(piperazin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 137153517
4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboximidamide
CID 135931796
6-Methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-ol
CID 135505922
2-(2-Hydroxyethylamino)-3,6-dimethylpyrimidin-4(3h)-one
CID 11615291
2-(2-Hydroxyethyl)amino-1,6-dimethyl-pyrimidin-4(1h)-one
CID 12139398
6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-pyrimidine-2,4-dione
CID 313551
2-[Bis(2-hydroxyethyl)amino]-6-methylpyrimidin-4(1h)-one
CID 135459400
2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4(3H)-one
CID 135536917
N,N-diethyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
CID 136673297
N,N-diethyl-4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxamide
CID 136816497
N-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)morpholine-4-carboximidamide
CID 135645034

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one (CID 135456291) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is LHDBKNPDTHFLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-9-8-10(17)13-11(12-9)15-4-2-14(3-5-15)6-7-16/h8,16H,2-7H2,1H3,(H,12,13,17).
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of -0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135456291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).