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

C17H19N3O4S — CID 135494995

IUPAC6-hydroxy-3-(2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
SMILESCc1ccccc1-n1c(SCC(=O)N2CCOCC2)nc(O)cc1=O
InChIInChI=1S/C17H19N3O4S/c1-12-4-2-3-5-13(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
InChIKeyKDNCLUNKFHVYEM-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.20
Rot. Bonds4

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

6-hydroxy-3-(2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one (PubChem CID 135494995) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 6-hydroxy-3-(2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-3-(2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
PubChem CID135494995
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name6-hydroxy-3-(2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
SMILESCc1ccccc1-n1c(SCC(=O)N2CCOCC2)nc(O)cc1=O
InChIInChI=1S/C17H19N3O4S/c1-12-4-2-3-5-13(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
InChIKeyKDNCLUNKFHVYEM-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

3-(2-Methoxy-ethyl)-2-(2-morpholin-4-yl-2-oxo-ethylsulfanyl)-3H-quinazolin-4-one
CID 3149114
3-Butyl-2-(2-morpholin-4-yl-2-oxo-ethylsulfanyl)-3H-quinazolin-4-one
CID 3181413
3-(3-Methoxy-propyl)-2-(2-morpholin-4-yl-2-oxo-ethylsulfanyl)-3H-quinazolin-4-one
CID 3181429
2-[(4-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 135432371
3-(2,6-diethylphenyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-6-hydroxypyrimidin-4-one
CID 135535458
6-hydroxy-3-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one
CID 135541177
1-(3,4-dihydroquinolin-1(2H)-yl)-2-((4-hydroxy-6-methylpyrimidin-2-yl)thio)ethanone
CID 135408403
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
5-benzyl-6-hydroxy-3-(2-methylphenyl)-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}pyrimidin-4(3H)-one
CID 135498992
2-[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)-6-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 5020464
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

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
The IUPAC name of 6-hydroxy-3-(2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one (CID 135494995) is 6-hydroxy-3-(2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-3-(2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
The canonical SMILES for 6-hydroxy-3-(2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one is Cc1ccccc1-n1c(SCC(=O)N2CCOCC2)nc(O)cc1=O.
What is the InChIKey of 6-hydroxy-3-(2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
The InChIKey is KDNCLUNKFHVYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-12-4-2-3-5-13(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-(2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
6-hydroxy-3-(2-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-(2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one is sourced from PubChem (CID 135494995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).