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

C15H23N3O3S — CID 3450065

IUPAC5-butan-2-yl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCCC(C)c1c(O)nc(SCC(=O)N2CCCCC2)[nH]c1=O
InChIInChI=1S/C15H23N3O3S/c1-3-10(2)12-13(20)16-15(17-14(12)21)22-9-11(19)18-7-5-4-6-8-18/h10H,3-9H2,1-2H3,(H2,16,17,20,21)
InChIKeyIURUTCNPYZDPGE-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.09
Rot. Bonds5

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

5-butan-2-yl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 3450065) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 5-butan-2-yl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-butan-2-yl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID3450065
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name5-butan-2-yl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCCC(C)c1c(O)nc(SCC(=O)N2CCCCC2)[nH]c1=O
InChIInChI=1S/C15H23N3O3S/c1-3-10(2)12-13(20)16-15(17-14(12)21)22-9-11(19)18-7-5-4-6-8-18/h10H,3-9H2,1-2H3,(H2,16,17,20,21)
InChIKeyIURUTCNPYZDPGE-UHFFFAOYSA-N
XLogP2.09
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-butan-2-yl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one (CID 3450065) is 5-butan-2-yl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-butan-2-yl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-butan-2-yl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one is CCC(C)c1c(O)nc(SCC(=O)N2CCCCC2)[nH]c1=O.
What is the InChIKey of 5-butan-2-yl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is IURUTCNPYZDPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-3-10(2)12-13(20)16-15(17-14(12)21)22-9-11(19)18-7-5-4-6-8-18/h10H,3-9H2,1-2H3,(H2,16,17,20,21).
What are the key properties of 5-butan-2-yl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
5-butan-2-yl-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 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 3450065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).