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

C13H19N3O3S — CID 7365038

IUPAC6-ethyl-3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
SMILESCCc1cc(=O)n(C)c(SCC(=O)N2CCOCC2)n1
InChIInChI=1S/C13H19N3O3S/c1-3-10-8-11(17)15(2)13(14-10)20-9-12(18)16-4-6-19-7-5-16/h8H,3-7,9H2,1-2H3
InChIKeyNOQIUJIHTNLUES-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.29
Rot. Bonds4

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

6-ethyl-3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one (PubChem CID 7365038) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 6-ethyl-3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
PubChem CID7365038
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name6-ethyl-3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
SMILESCCc1cc(=O)n(C)c(SCC(=O)N2CCOCC2)n1
InChIInChI=1S/C13H19N3O3S/c1-3-10-8-11(17)15(2)13(14-10)20-9-12(18)16-4-6-19-7-5-16/h8H,3-7,9H2,1-2H3
InChIKeyNOQIUJIHTNLUES-UHFFFAOYSA-N
XLogP0.29
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
3-(2-methoxyethyl)-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
CID 22430877
6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-4-one
CID 135439027
7-ethyl-3-(2-morpholino-2-oxoethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16868216
2-((4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)-N-(2-methoxyethyl)acetamide
CID 135515378
3,6-Dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
CID 155810327
2-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 169040475
(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-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
The IUPAC name of 6-ethyl-3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one (CID 7365038) is 6-ethyl-3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one is CCc1cc(=O)n(C)c(SCC(=O)N2CCOCC2)n1.
What is the InChIKey of 6-ethyl-3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
The InChIKey is NOQIUJIHTNLUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-3-10-8-11(17)15(2)13(14-10)20-9-12(18)16-4-6-19-7-5-16/h8H,3-7,9H2,1-2H3.
What are the key properties of 6-ethyl-3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
6-ethyl-3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one has a molecular weight of 297.38 g/mol, XLogP of 0.29, 4 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-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one is sourced from PubChem (CID 7365038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).