6-ethyl-3-methyl-2-(4-morpholin-4-yl-4-oxobutyl)sulfanylpyrimidin-4-one

C15H23N3O3S — CID 42739040

IUPAC6-ethyl-3-methyl-2-(4-morpholin-4-yl-4-oxobutyl)sulfanylpyrimidin-4-one
SMILESCCc1cc(=O)n(C)c(SCCCC(=O)N2CCOCC2)n1
InChIInChI=1S/C15H23N3O3S/c1-3-12-11-14(20)17(2)15(16-12)22-10-4-5-13(19)18-6-8-21-9-7-18/h11H,3-10H2,1-2H3
InChIKeyCWDKWNZSJFMBHF-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.07
Rot. Bonds6

About 6-ethyl-3-methyl-2-(4-morpholin-4-yl-4-oxobutyl)sulfanylpyrimidin-4-one

6-ethyl-3-methyl-2-(4-morpholin-4-yl-4-oxobutyl)sulfanylpyrimidin-4-one (PubChem CID 42739040) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 6-ethyl-3-methyl-2-(4-morpholin-4-yl-4-oxobutyl)sulfanylpyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-methyl-2-(4-morpholin-4-yl-4-oxobutyl)sulfanylpyrimidin-4-one
PubChem CID42739040
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name6-ethyl-3-methyl-2-(4-morpholin-4-yl-4-oxobutyl)sulfanylpyrimidin-4-one
SMILESCCc1cc(=O)n(C)c(SCCCC(=O)N2CCOCC2)n1
InChIInChI=1S/C15H23N3O3S/c1-3-12-11-14(20)17(2)15(16-12)22-10-4-5-13(19)18-6-8-21-9-7-18/h11H,3-10H2,1-2H3
InChIKeyCWDKWNZSJFMBHF-UHFFFAOYSA-N
XLogP1.07
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
2-[2-(2,6-dimethyl-4-morpholinyl)-2-oxoethylthio]-5-ethyl-6-methyl-4(3H)-pyrimidinone
CID 135760337
3-ethyl-6-methyl-2-((2-morpholino-2-oxoethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 3243866
3,6-Dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 4345180
3-Methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7475369
6-Methyl-3-(2-morpholino-2-oxoethyl)-1-thia-3a,7-diaza-4-indanone
CID 16867883
3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-(propan-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16868597
7-ethyl-3-(2-morpholino-2-oxoethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16868216
4,5-diethyl-2-(2-morpholinoethylsulfanyl)-1H-pyrimidin-6-one
CID 137222001
3,6-Dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
CID 155810327
(6S)-3-ethyl-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7080979

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-2-(4-morpholin-4-yl-4-oxobutyl)sulfanylpyrimidin-4-one?
The IUPAC name of 6-ethyl-3-methyl-2-(4-morpholin-4-yl-4-oxobutyl)sulfanylpyrimidin-4-one (CID 42739040) is 6-ethyl-3-methyl-2-(4-morpholin-4-yl-4-oxobutyl)sulfanylpyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3-methyl-2-(4-morpholin-4-yl-4-oxobutyl)sulfanylpyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-methyl-2-(4-morpholin-4-yl-4-oxobutyl)sulfanylpyrimidin-4-one is CCc1cc(=O)n(C)c(SCCCC(=O)N2CCOCC2)n1.
What is the InChIKey of 6-ethyl-3-methyl-2-(4-morpholin-4-yl-4-oxobutyl)sulfanylpyrimidin-4-one?
The InChIKey is CWDKWNZSJFMBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-3-12-11-14(20)17(2)15(16-12)22-10-4-5-13(19)18-6-8-21-9-7-18/h11H,3-10H2,1-2H3.
What are the key properties of 6-ethyl-3-methyl-2-(4-morpholin-4-yl-4-oxobutyl)sulfanylpyrimidin-4-one?
6-ethyl-3-methyl-2-(4-morpholin-4-yl-4-oxobutyl)sulfanylpyrimidin-4-one has a molecular weight of 325.43 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-2-(4-morpholin-4-yl-4-oxobutyl)sulfanylpyrimidin-4-one is sourced from PubChem (CID 42739040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).