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

C15H23N3O3S — CID 5058947

IUPAC5-butyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCCCCc1c(O)nc(SCC(=O)N2CCCCC2)[nH]c1=O
InChIInChI=1S/C15H23N3O3S/c1-2-3-7-11-13(20)16-15(17-14(11)21)22-10-12(19)18-8-5-4-6-9-18/h2-10H2,1H3,(H2,16,17,20,21)
InChIKeyIKBBOYNAMURTJB-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.92
Rot. Bonds6

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

5-butyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 5058947) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 5-butyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-butyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID5058947
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name5-butyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCCCCc1c(O)nc(SCC(=O)N2CCCCC2)[nH]c1=O
InChIInChI=1S/C15H23N3O3S/c1-2-3-7-11-13(20)16-15(17-14(11)21)22-10-12(19)18-8-5-4-6-9-18/h2-10H2,1H3,(H2,16,17,20,21)
InChIKeyIKBBOYNAMURTJB-UHFFFAOYSA-N
XLogP1.92
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-butyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one (CID 5058947) is 5-butyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-butyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-butyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one is CCCCc1c(O)nc(SCC(=O)N2CCCCC2)[nH]c1=O.
What is the InChIKey of 5-butyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is IKBBOYNAMURTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-3-7-11-13(20)16-15(17-14(11)21)22-10-12(19)18-8-5-4-6-9-18/h2-10H2,1H3,(H2,16,17,20,21).
What are the key properties of 5-butyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
5-butyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 325.43 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 5058947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).