4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one

C11H15N3O3S — CID 705077

IUPAC4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nc(O)cc(=O)[nH]1)N1CCCCC1
InChIInChI=1S/C11H15N3O3S/c15-8-6-9(16)13-11(12-8)18-7-10(17)14-4-2-1-3-5-14/h6H,1-5,7H2,(H2,12,13,15,16)
InChIKeyJQJRTYXFOICCDA-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.58
Rot. Bonds3

About 4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one

4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 705077) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID705077
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nc(O)cc(=O)[nH]1)N1CCCCC1
InChIInChI=1S/C11H15N3O3S/c15-8-6-9(16)13-11(12-8)18-7-10(17)14-4-2-1-3-5-14/h6H,1-5,7H2,(H2,12,13,15,16)
InChIKeyJQJRTYXFOICCDA-UHFFFAOYSA-N
XLogP0.58
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one (CID 705077) is 4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one is O=C(CSc1nc(O)cc(=O)[nH]1)N1CCCCC1.
What is the InChIKey of 4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is JQJRTYXFOICCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c15-8-6-9(16)13-11(12-8)18-7-10(17)14-4-2-1-3-5-14/h6H,1-5,7H2,(H2,12,13,15,16).
What are the key properties of 4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 269.33 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 705077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).