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

C13H19N3O3S — CID 779655

IUPAC5-ethyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(SCC(=O)N2CCCCC2)[nH]c1=O
InChIInChI=1S/C13H19N3O3S/c1-2-9-11(18)14-13(15-12(9)19)20-8-10(17)16-6-4-3-5-7-16/h2-8H2,1H3,(H2,14,15,18,19)
InChIKeyGNEWESNRLOGQTC-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.14
Rot. Bonds4

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

5-ethyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 779655) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID779655
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name5-ethyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(SCC(=O)N2CCCCC2)[nH]c1=O
InChIInChI=1S/C13H19N3O3S/c1-2-9-11(18)14-13(15-12(9)19)20-8-10(17)16-6-4-3-5-7-16/h2-8H2,1H3,(H2,14,15,18,19)
InChIKeyGNEWESNRLOGQTC-UHFFFAOYSA-N
XLogP1.14
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-(2-Azepan-1-yl-2-oxo-ethylsulfanyl)-5-butyl-6-hydroxy-3H-pyrimidin-4-one
CID 3149866
5-Butyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxo-ethylsulfanyl)-3H-pyrimidin-4-one
CID 656316
5-butyl-6-hydroxy-2-[(2-oxo-2-piperidin-1-ylethyl)thio]pyrimidin-4(3H)-one
CID 5058947
2-(2-Dimethylamino-ethylsulfanyl)-6-hydroxy-5-isopropyl-3H-pyrimidin-4-one
CID 2879603
5-sec-butyl-6-hydroxy-2-[(2-oxo-2-piperidin-1-ylethyl)thio]pyrimidin-4(3H)-one
CID 3450065
6-hydroxy-5-isopropyl-2-[(2-oxo-2-piperidin-1-ylethyl)thio]pyrimidin-4(3H)-one
CID 5058791
Isothiobarbamin
CID 132771
1-Butan-2-yl-5-ethyl-6-hydroxy-2-(propylthio)-4-pyrimidinone
CID 135458801
N,N-diethyl-2-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]acetamide
CID 796354
2-[2-(diethylamino)ethylsulfanyl]-4-hydroxy-5-pentyl-1H-pyrimidin-6-one;hydrochloride
CID 16189439
2-(5-Ethyl-4-hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-1-piperidin-1-yl-ethanone
CID 135538753
6-Hydroxy-5-isopropyl-2-(2-morpholin-4-yl-2-oxo-ethylsulfanyl)-3H-pyrimidin-4-one
CID 1073918

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one (CID 779655) is 5-ethyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one is CCc1c(O)nc(SCC(=O)N2CCCCC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is GNEWESNRLOGQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-2-9-11(18)14-13(15-12(9)19)20-8-10(17)16-6-4-3-5-7-16/h2-8H2,1H3,(H2,14,15,18,19).
What are the key properties of 5-ethyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 297.38 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 779655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).