2-ethyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one

C11H16N4O2 — CID 82510676

IUPAC2-ethyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCCc1ncc(C(=O)N2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C11H16N4O2/c1-2-9-13-7-8(10(16)14-9)11(17)15-5-3-12-4-6-15/h7,12H,2-6H2,1H3,(H,13,14,16)
InChIKeyWLJOSEBDDMXLLU-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.62
Rot. Bonds2

About 2-ethyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one

2-ethyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 82510676) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-ethyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID82510676
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-ethyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCCc1ncc(C(=O)N2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C11H16N4O2/c1-2-9-13-7-8(10(16)14-9)11(17)15-5-3-12-4-6-15/h7,12H,2-6H2,1H3,(H,13,14,16)
InChIKeyWLJOSEBDDMXLLU-UHFFFAOYSA-N
XLogP-0.62
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Tert-butyl-5-[(4-methyl-1,4-diazepan-1-yl)carbonyl]pyrimidin-4-ol
CID 70766587
9-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364467
N-[2-(4-ethylpiperazin-1-yl)ethyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364469
9-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364472
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 48164668
2-isopropyl-5-{[2-(1-pyrrolidinylcarbonyl)-1-piperazinyl]carbonyl}-4(3H)-pyrimidinone
CID 56898809
6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-3-carboxamide
CID 156102762
1-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide
CID 13480644
N,2-dimethyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 50989028
5-({2-[2-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 56914559
5-Bromo-2-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
CID 66308580
5-Iodo-2-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
CID 66340706

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one (CID 82510676) is 2-ethyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one is CCc1ncc(C(=O)N2CCNCC2)c(=O)[nH]1.
What is the InChIKey of 2-ethyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is WLJOSEBDDMXLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-9-13-7-8(10(16)14-9)11(17)15-5-3-12-4-6-15/h7,12H,2-6H2,1H3,(H,13,14,16).
What are the key properties of 2-ethyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
2-ethyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 236.27 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 82510676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).