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

C17H19N3O5S — CID 135452219

IUPAC6-hydroxy-3-(4-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
SMILESCOc1ccc(-n2c(SCC(=O)N3CCOCC3)nc(O)cc2=O)cc1
InChIInChI=1S/C17H19N3O5S/c1-24-13-4-2-12(3-5-13)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
InChIKeyLZEYTWKMMKWWKU-UHFFFAOYSA-N
MW377.42 g/mol
LogP0.90
Rot. Bonds5

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

6-hydroxy-3-(4-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one (PubChem CID 135452219) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 6-hydroxy-3-(4-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-3-(4-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
PubChem CID135452219
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name6-hydroxy-3-(4-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
SMILESCOc1ccc(-n2c(SCC(=O)N3CCOCC3)nc(O)cc2=O)cc1
InChIInChI=1S/C17H19N3O5S/c1-24-13-4-2-12(3-5-13)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
InChIKeyLZEYTWKMMKWWKU-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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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(4-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
The IUPAC name of 6-hydroxy-3-(4-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one (CID 135452219) is 6-hydroxy-3-(4-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-3-(4-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
The canonical SMILES for 6-hydroxy-3-(4-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one is COc1ccc(-n2c(SCC(=O)N3CCOCC3)nc(O)cc2=O)cc1.
What is the InChIKey of 6-hydroxy-3-(4-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
The InChIKey is LZEYTWKMMKWWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-24-13-4-2-12(3-5-13)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-(4-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
6-hydroxy-3-(4-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-(4-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one is sourced from PubChem (CID 135452219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).