6-hydroxy-3-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one

C17H19N3O4S — CID 135485270

IUPAC6-hydroxy-3-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
SMILESCc1ccc(-n2c(SCC(=O)N3CCOCC3)nc(O)cc2=O)cc1
InChIInChI=1S/C17H19N3O4S/c1-12-2-4-13(5-3-12)20-15(22)10-14(21)18-17(20)25-11-16(23)19-6-8-24-9-7-19/h2-5,10,21H,6-9,11H2,1H3
InChIKeyXJKZRJDWSZVBCI-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.20
Rot. Bonds4

About 6-hydroxy-3-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one

6-hydroxy-3-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one (PubChem CID 135485270) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 6-hydroxy-3-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-3-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
PubChem CID135485270
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name6-hydroxy-3-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
SMILESCc1ccc(-n2c(SCC(=O)N3CCOCC3)nc(O)cc2=O)cc1
InChIInChI=1S/C17H19N3O4S/c1-12-2-4-13(5-3-12)20-15(22)10-14(21)18-17(20)25-11-16(23)19-6-8-24-9-7-19/h2-5,10,21H,6-9,11H2,1H3
InChIKeyXJKZRJDWSZVBCI-UHFFFAOYSA-N
XLogP1.20
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-hydroxy-3-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one
CID 135541177
5-Benzyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1-phenylpyrimidin-4-one
CID 135438992
5-benzyl-6-hydroxy-3-(4-methylphenyl)-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}pyrimidin-4(3H)-one
CID 135438996
2-{[5-benzyl-4-hydroxy-1-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N,N-diethylacetamide
CID 135465278
5-benzyl-6-hydroxy-3-(2-methylphenyl)-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}pyrimidin-4(3H)-one
CID 135498992
(5Z)-5-[4-(dimethylamino)benzylidene]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
CID 1907637
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)-6-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 5058057
5-benzyl-6-hydroxy-3-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one
CID 135443865
6-hydroxy-3-(2-methylphenyl)-2-{[2-(4-morpholinyl)-2-oxoethyl]thio}-4(3H)-pyrimidinone
CID 135494995
2-[(4-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135500314
2-(5-benzyl-6-hydroxy-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide
CID 135512331
6-Hydroxy-3-(4-methylphenyl)-2-propylsulfanylpyrimidin-4-one
CID 156015371

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
The IUPAC name of 6-hydroxy-3-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one (CID 135485270) is 6-hydroxy-3-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-3-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
The canonical SMILES for 6-hydroxy-3-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one is Cc1ccc(-n2c(SCC(=O)N3CCOCC3)nc(O)cc2=O)cc1.
What is the InChIKey of 6-hydroxy-3-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
The InChIKey is XJKZRJDWSZVBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-12-2-4-13(5-3-12)20-15(22)10-14(21)18-17(20)25-11-16(23)19-6-8-24-9-7-19/h2-5,10,21H,6-9,11H2,1H3.
What are the key properties of 6-hydroxy-3-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
6-hydroxy-3-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one has a molecular weight of 361.42 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one is sourced from PubChem (CID 135485270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).