5-ethyl-4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one

C14H21N3O2S — CID 135538753

IUPAC5-ethyl-4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(SCC(=O)N2CCCCC2)[nH]c1=O
InChIInChI=1S/C14H21N3O2S/c1-3-11-10(2)15-14(16-13(11)19)20-9-12(18)17-7-5-4-6-8-17/h3-9H2,1-2H3,(H,15,16,19)
InChIKeyPDIVDLVXJAXYEM-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.75
Rot. Bonds4

About 5-ethyl-4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one

5-ethyl-4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 135538753) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID135538753
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name5-ethyl-4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(SCC(=O)N2CCCCC2)[nH]c1=O
InChIInChI=1S/C14H21N3O2S/c1-3-11-10(2)15-14(16-13(11)19)20-9-12(18)17-7-5-4-6-8-17/h3-9H2,1-2H3,(H,15,16,19)
InChIKeyPDIVDLVXJAXYEM-UHFFFAOYSA-N
XLogP1.75
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydroxy-5-isopropyl-2-[(2-oxo-2-piperidin-1-ylethyl)thio]pyrimidin-4(3H)-one
CID 5058791
N-cyclohexyl-N-methyl-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)thio]acetamide
CID 135544646
5-ethyl-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135455108
N-Cyclopentyl-2-(5-ethyl-4-hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 135546304
2-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)-6-propylpyrimidin-4(3H)-one
CID 135561388
2-((2-(azepan-1-yl)-2-oxoethyl)thio)-5,6-dimethylpyrimidin-4(3H)-one
CID 135561779
2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135460585
2-[2-(2,6-dimethyl-4-morpholinyl)-2-oxoethylthio]-5-ethyl-6-methyl-4(3H)-pyrimidinone
CID 135760337
6-Hydroxy-2-(2-oxo-2-piperidin-1-yl-ethylsulfanyl)-5-propyl-3H-pyrimidin-4-one
CID 695466
3-ethyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
CID 22430826
5-ethyl-4-methyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135442429
3-methyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
CID 22430777

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one (CID 135538753) is 5-ethyl-4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one is CCc1c(C)nc(SCC(=O)N2CCCCC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is PDIVDLVXJAXYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-3-11-10(2)15-14(16-13(11)19)20-9-12(18)17-7-5-4-6-8-17/h3-9H2,1-2H3,(H,15,16,19).
What are the key properties of 5-ethyl-4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
5-ethyl-4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 295.41 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135538753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).