2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanone

C11H14N2O2S — CID 104693508

IUPAC2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanone
SMILESCc1cnc(SCC(=O)C2CCOC2)nc1
InChIInChI=1S/C11H14N2O2S/c1-8-4-12-11(13-5-8)16-7-10(14)9-2-3-15-6-9/h4-5,9H,2-3,6-7H2,1H3
InChIKeyXRDFGYADRBXVAH-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.48
Rot. Bonds4

About 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanone

2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanone (PubChem CID 104693508) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanone
PubChem CID104693508
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanone
SMILESCc1cnc(SCC(=O)C2CCOC2)nc1
InChIInChI=1S/C11H14N2O2S/c1-8-4-12-11(13-5-8)16-7-10(14)9-2-3-15-6-9/h4-5,9H,2-3,6-7H2,1H3
InChIKeyXRDFGYADRBXVAH-UHFFFAOYSA-N
XLogP1.48
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanone (CID 104693508) is 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanone is Cc1cnc(SCC(=O)C2CCOC2)nc1.
What is the InChIKey of 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanone?
The InChIKey is XRDFGYADRBXVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-8-4-12-11(13-5-8)16-7-10(14)9-2-3-15-6-9/h4-5,9H,2-3,6-7H2,1H3.
What are the key properties of 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanone?
2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanone has a molecular weight of 238.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104693508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).