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

C17H19N3O5S — CID 135449716

IUPAC6-hydroxy-3-(2-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
SMILESCOc1ccccc1-n1c(SCC(=O)N2CCOCC2)nc(O)cc1=O
InChIInChI=1S/C17H19N3O5S/c1-24-13-5-3-2-4-12(13)20-15(22)10-14(21)18-17(20)26-11-16(23)19-6-8-25-9-7-19/h2-5,10,21H,6-9,11H2,1H3
InChIKeyVKNUEPRYSQBSDA-UHFFFAOYSA-N
MW377.42 g/mol
LogP0.90
Rot. Bonds5

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

6-hydroxy-3-(2-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one (PubChem CID 135449716) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 6-hydroxy-3-(2-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-3-(2-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
PubChem CID135449716
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name6-hydroxy-3-(2-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
SMILESCOc1ccccc1-n1c(SCC(=O)N2CCOCC2)nc(O)cc1=O
InChIInChI=1S/C17H19N3O5S/c1-24-13-5-3-2-4-12(13)20-15(22)10-14(21)18-17(20)26-11-16(23)19-6-8-25-9-7-19/h2-5,10,21H,6-9,11H2,1H3
InChIKeyVKNUEPRYSQBSDA-UHFFFAOYSA-N
XLogP0.90
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-methoxyphenyl)-2-(propylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 2155273
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CID 135543449
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-2,2-dimethyl-thiazolidin-4-one
CID 10571658
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-5-methyl-thiazolidin-4-one
CID 10808722
3-(2-methoxyphenyl)-N-phenyl-1,3-thiazinan-2-imine
CID 302451
N-cyano-N'-propan-2-ylcarbamimidothioic acid [2-(2-methoxyanilino)-2-oxoethyl] ester
CID 660496
N-cyclohexyl-2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 2155260
7-[[4-(2-Methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2461965
N-(4-fluorophenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3139957
Ethyl {[3,6-bis(2-methoxyphenyl)-7-oxo-2-thioxo-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]thio}acetate
CID 3642700
{[3-(2-Ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-thioxo-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]thio}acetic acid
CID 5143234
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methoxyphenyl)acetamide
CID 15945708

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(2-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
The IUPAC name of 6-hydroxy-3-(2-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one (CID 135449716) is 6-hydroxy-3-(2-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-3-(2-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
The canonical SMILES for 6-hydroxy-3-(2-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one is COc1ccccc1-n1c(SCC(=O)N2CCOCC2)nc(O)cc1=O.
What is the InChIKey of 6-hydroxy-3-(2-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
The InChIKey is VKNUEPRYSQBSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-24-13-5-3-2-4-12(13)20-15(22)10-14(21)18-17(20)26-11-16(23)19-6-8-25-9-7-19/h2-5,10,21H,6-9,11H2,1H3.
What are the key properties of 6-hydroxy-3-(2-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
6-hydroxy-3-(2-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one has a molecular weight of 377.42 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-(2-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one is sourced from PubChem (CID 135449716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).