4,5-diethyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one

C14H23N3O2S — CID 137222001

IUPAC4,5-diethyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one
SMILESCCc1nc(SCCN2CCOCC2)[nH]c(=O)c1CC
InChIInChI=1S/C14H23N3O2S/c1-3-11-12(4-2)15-14(16-13(11)18)20-10-7-17-5-8-19-9-6-17/h3-10H2,1-2H3,(H,15,16,18)
InChIKeyBVQMBPYEYUJAMH-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.32
Rot. Bonds6

About 4,5-diethyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one

4,5-diethyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 137222001) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4,5-diethyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-diethyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one
PubChem CID137222001
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4,5-diethyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one
SMILESCCc1nc(SCCN2CCOCC2)[nH]c(=O)c1CC
InChIInChI=1S/C14H23N3O2S/c1-3-11-12(4-2)15-14(16-13(11)18)20-10-7-17-5-8-19-9-6-17/h3-10H2,1-2H3,(H,15,16,18)
InChIKeyBVQMBPYEYUJAMH-UHFFFAOYSA-N
XLogP1.32
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Hydroxy-6-propyl-pyrimidin-2-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 135413053
2-(5-Ethyl-4-hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-1-piperidin-1-yl-ethanone
CID 135538753
2-[2-(2,6-dimethyl-4-morpholinyl)-2-oxoethylthio]-5-ethyl-6-methyl-4(3H)-pyrimidinone
CID 135760337
6-hydroxy-5-isopropyl-2-((2-morpholinoethyl)thio)pyrimidin-4(3H)-one hydrochloride
CID 9549439
6-Hydroxy-5-(methylethyl)-2-(2-morpholin-4-ylethylthio)-3-hydropyrimidin-4-one
CID 706304
2-((4-Hydroxy-5,6,7,8-tetrahydroquinazolin-2-yl)thio)-1-morpholinoethanone
CID 135657716
4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-propan-2-yl-1H-pyrimidin-6-one chloride
CID 53346907
5-ethyl-6-hydroxy-2-{[2-(4-morpholinyl)-2-oxoethyl]thio}-4(3H)-pyrimidinone
CID 705081
methyl 3-methyl-N-(2,2,5-trimethyl-6-oxo-1,3-dihydropyridin-4-yl)morpholine-4-carboximidothioate
CID 68343900
5-(Tert-butyl)-6-hydroxy-2-(2-morpholin-4-ylethylthio)-3-hydropyrimidin-4-one
CID 1838309
6-ethyl-7-methyl-3-(2-morpholino-2-oxoethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16869166
6-Ethyl-3-methyl-2-(4-morpholin-4-yl-4-oxobutyl)sulfanylpyrimidin-4-one
CID 42739040

Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 4,5-diethyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one (CID 137222001) is 4,5-diethyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-diethyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-diethyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one is CCc1nc(SCCN2CCOCC2)[nH]c(=O)c1CC.
What is the InChIKey of 4,5-diethyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is BVQMBPYEYUJAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-11-12(4-2)15-14(16-13(11)18)20-10-7-17-5-8-19-9-6-17/h3-10H2,1-2H3,(H,15,16,18).
What are the key properties of 4,5-diethyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one?
4,5-diethyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 297.42 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137222001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).