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

C17H25N3O3S — CID 1073962

IUPAC5-cyclohexyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nc(O)c(C2CCCCC2)c(=O)[nH]1)N1CCCCC1
InChIInChI=1S/C17H25N3O3S/c21-13(20-9-5-2-6-10-20)11-24-17-18-15(22)14(16(23)19-17)12-7-3-1-4-8-12/h12H,1-11H2,(H2,18,19,22,23)
InChIKeyXPTQYNWLPQYOST-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.63
Rot. Bonds4

About 5-cyclohexyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one

5-cyclohexyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 1073962) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 5-cyclohexyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclohexyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID1073962
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name5-cyclohexyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nc(O)c(C2CCCCC2)c(=O)[nH]1)N1CCCCC1
InChIInChI=1S/C17H25N3O3S/c21-13(20-9-5-2-6-10-20)11-24-17-18-15(22)14(16(23)19-17)12-7-3-1-4-8-12/h12H,1-11H2,(H2,18,19,22,23)
InChIKeyXPTQYNWLPQYOST-UHFFFAOYSA-N
XLogP2.63
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclohexyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one (CID 1073962) is 5-cyclohexyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclohexyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclohexyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one is O=C(CSc1nc(O)c(C2CCCCC2)c(=O)[nH]1)N1CCCCC1.
What is the InChIKey of 5-cyclohexyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is XPTQYNWLPQYOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c21-13(20-9-5-2-6-10-20)11-24-17-18-15(22)14(16(23)19-17)12-7-3-1-4-8-12/h12H,1-11H2,(H2,18,19,22,23).
What are the key properties of 5-cyclohexyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
5-cyclohexyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 351.47 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 1073962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).