6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one

C12H17N3O3S — CID 135421748

IUPAC6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one
SMILESCn1c(SCC(=O)N2CCCCC2)nc(O)cc1=O
InChIInChI=1S/C12H17N3O3S/c1-14-10(17)7-9(16)13-12(14)19-8-11(18)15-5-3-2-4-6-15/h7,16H,2-6,8H2,1H3
InChIKeyDMHCSWJELPKGMU-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.59
Rot. Bonds3

About 6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one

6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one (PubChem CID 135421748) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one
PubChem CID135421748
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one
SMILESCn1c(SCC(=O)N2CCCCC2)nc(O)cc1=O
InChIInChI=1S/C12H17N3O3S/c1-14-10(17)7-9(16)13-12(14)19-8-11(18)15-5-3-2-4-6-15/h7,16H,2-6,8H2,1H3
InChIKeyDMHCSWJELPKGMU-UHFFFAOYSA-N
XLogP0.59
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one?
The IUPAC name of 6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one (CID 135421748) is 6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one?
The canonical SMILES for 6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one is Cn1c(SCC(=O)N2CCCCC2)nc(O)cc1=O.
What is the InChIKey of 6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one?
The InChIKey is DMHCSWJELPKGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-14-10(17)7-9(16)13-12(14)19-8-11(18)15-5-3-2-4-6-15/h7,16H,2-6,8H2,1H3.
What are the key properties of 6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one?
6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one has a molecular weight of 283.35 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one is sourced from PubChem (CID 135421748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).