6-ethyl-3-methyl-2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyrimidin-4-one

C15H23N3O3S — CID 42739135

IUPAC6-ethyl-3-methyl-2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyrimidin-4-one
SMILESCCc1cc(=O)n(C)c(SC(CC)C(=O)N2CCOCC2)n1
InChIInChI=1S/C15H23N3O3S/c1-4-11-10-13(19)17(3)15(16-11)22-12(5-2)14(20)18-6-8-21-9-7-18/h10,12H,4-9H2,1-3H3
InChIKeyAUFUCADTOVIYDD-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.07
Rot. Bonds5

About 6-ethyl-3-methyl-2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyrimidin-4-one

6-ethyl-3-methyl-2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyrimidin-4-one (PubChem CID 42739135) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 6-ethyl-3-methyl-2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-methyl-2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyrimidin-4-one
PubChem CID42739135
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name6-ethyl-3-methyl-2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyrimidin-4-one
SMILESCCc1cc(=O)n(C)c(SC(CC)C(=O)N2CCOCC2)n1
InChIInChI=1S/C15H23N3O3S/c1-4-11-10-13(19)17(3)15(16-11)22-12(5-2)14(20)18-6-8-21-9-7-18/h10,12H,4-9H2,1-3H3
InChIKeyAUFUCADTOVIYDD-UHFFFAOYSA-N
XLogP1.07
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
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

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Related Compounds

2-[1-[4-(2-chlorophenyl)piperazin-1-yl]-1-oxobutan-2-yl]sulfanyl-6-ethyl-3-methylpyrimidin-4-one
CID 42739161
6-ethyl-2-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxobutan-2-yl]sulfanyl-3-methylpyrimidin-4-one
CID 42739139
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 42739114
N-cyclopropyl-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylbutanamide
CID 42739154
ethyl 1-[2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylbutanoyl]piperidine-4-carboxylate
CID 42739465
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)butanamide
CID 42739155
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)acetamide
CID 42739010
3-[1-[2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylpentanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 42739118
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 42739470
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)propanamide
CID 42739075
3-butyl-6-ethyl-2-morpholin-4-ylpyrimidin-4-one
CID 53201010
(2S)-2-[[5-(2-ethylphenyl)-4-imino-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-1-morpholin-4-ylbutan-1-one
CID 136754572

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyrimidin-4-one?
The IUPAC name of 6-ethyl-3-methyl-2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyrimidin-4-one (CID 42739135) is 6-ethyl-3-methyl-2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3-methyl-2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-methyl-2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyrimidin-4-one is CCc1cc(=O)n(C)c(SC(CC)C(=O)N2CCOCC2)n1.
What is the InChIKey of 6-ethyl-3-methyl-2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyrimidin-4-one?
The InChIKey is AUFUCADTOVIYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-4-11-10-13(19)17(3)15(16-11)22-12(5-2)14(20)18-6-8-21-9-7-18/h10,12H,4-9H2,1-3H3.
What are the key properties of 6-ethyl-3-methyl-2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyrimidin-4-one?
6-ethyl-3-methyl-2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyrimidin-4-one has a molecular weight of 325.43 g/mol, XLogP of 1.07, 5 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-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyrimidin-4-one is sourced from PubChem (CID 42739135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).