5-ethyl-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one

C13H19N3O3S — CID 135561908

IUPAC5-ethyl-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(SCC(=O)N2CCOCC2)[nH]c1=O
InChIInChI=1S/C13H19N3O3S/c1-3-10-9(2)14-13(15-12(10)18)20-8-11(17)16-4-6-19-7-5-16/h3-8H2,1-2H3,(H,14,15,18)
InChIKeyDWKAKFYUXWVSRK-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.59
Rot. Bonds4

About 5-ethyl-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one

5-ethyl-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 135561908) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID135561908
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name5-ethyl-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(SCC(=O)N2CCOCC2)[nH]c1=O
InChIInChI=1S/C13H19N3O3S/c1-3-10-9(2)14-13(15-12(10)18)20-8-11(17)16-4-6-19-7-5-16/h3-8H2,1-2H3,(H,14,15,18)
InChIKeyDWKAKFYUXWVSRK-UHFFFAOYSA-N
XLogP0.59
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-2-((2-morpholino-2-oxoethyl)thio)pyrimidin-4(3H)-one
CID 135561504
2-(4-Hydroxy-6-propyl-pyrimidin-2-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 135413053
5-ethyl-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135455108
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
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
5-ethyl-4-methyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135442429
2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 135442433
2-((4-Hydroxy-5,6,7,8-tetrahydroquinazolin-2-yl)thio)-1-morpholinoethanone
CID 135657716
N,N-diethyl-2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135500215
4,5-diethyl-2-(2-morpholinoethylsulfanyl)-1H-pyrimidin-6-one
CID 137222001

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one (CID 135561908) is 5-ethyl-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one is CCc1c(C)nc(SCC(=O)N2CCOCC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is DWKAKFYUXWVSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-3-10-9(2)14-13(15-12(10)18)20-8-11(17)16-4-6-19-7-5-16/h3-8H2,1-2H3,(H,14,15,18).
What are the key properties of 5-ethyl-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
5-ethyl-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 297.38 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135561908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).