6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylpyrimidin-4-one

C17H19N3O3S — CID 135468714

IUPAC6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylpyrimidin-4-one
SMILESO=C(CSc1nc(O)cc(=O)n1-c1ccccc1)N1CCCCC1
InChIInChI=1S/C17H19N3O3S/c21-14-11-15(22)20(13-7-3-1-4-8-13)17(18-14)24-12-16(23)19-9-5-2-6-10-19/h1,3-4,7-8,11,21H,2,5-6,9-10,12H2
InChIKeyOZYZMBBOYDRHNP-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.04
Rot. Bonds4

About 6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylpyrimidin-4-one

6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylpyrimidin-4-one (PubChem CID 135468714) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylpyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylpyrimidin-4-one
PubChem CID135468714
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylpyrimidin-4-one
SMILESO=C(CSc1nc(O)cc(=O)n1-c1ccccc1)N1CCCCC1
InChIInChI=1S/C17H19N3O3S/c21-14-11-15(22)20(13-7-3-1-4-8-13)17(18-14)24-12-16(23)19-9-5-2-6-10-19/h1,3-4,7-8,11,21H,2,5-6,9-10,12H2
InChIKeyOZYZMBBOYDRHNP-UHFFFAOYSA-N
XLogP2.04
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylpyrimidin-4-one?
The IUPAC name of 6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylpyrimidin-4-one (CID 135468714) is 6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylpyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylpyrimidin-4-one?
The canonical SMILES for 6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylpyrimidin-4-one is O=C(CSc1nc(O)cc(=O)n1-c1ccccc1)N1CCCCC1.
What is the InChIKey of 6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylpyrimidin-4-one?
The InChIKey is OZYZMBBOYDRHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-14-11-15(22)20(13-7-3-1-4-8-13)17(18-14)24-12-16(23)19-9-5-2-6-10-19/h1,3-4,7-8,11,21H,2,5-6,9-10,12H2.
What are the key properties of 6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylpyrimidin-4-one?
6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylpyrimidin-4-one has a molecular weight of 345.42 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylpyrimidin-4-one is sourced from PubChem (CID 135468714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).