1-[5-(5-methylpyrimidin-2-yl)sulfanylfuran-2-yl]ethanone

C11H10N2O2S — CID 104651919

IUPAC1-[5-(5-methylpyrimidin-2-yl)sulfanylfuran-2-yl]ethanone
SMILESCC(=O)c1ccc(Sc2ncc(C)cn2)o1
InChIInChI=1S/C11H10N2O2S/c1-7-5-12-11(13-6-7)16-10-4-3-9(15-10)8(2)14/h3-6H,1-2H3
InChIKeyHPAIUVXSCCOPDX-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.73
Rot. Bonds3

About 1-[5-(5-methylpyrimidin-2-yl)sulfanylfuran-2-yl]ethanone

1-[5-(5-methylpyrimidin-2-yl)sulfanylfuran-2-yl]ethanone (PubChem CID 104651919) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 1-[5-(5-methylpyrimidin-2-yl)sulfanylfuran-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(5-methylpyrimidin-2-yl)sulfanylfuran-2-yl]ethanone
PubChem CID104651919
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name1-[5-(5-methylpyrimidin-2-yl)sulfanylfuran-2-yl]ethanone
SMILESCC(=O)c1ccc(Sc2ncc(C)cn2)o1
InChIInChI=1S/C11H10N2O2S/c1-7-5-12-11(13-6-7)16-10-4-3-9(15-10)8(2)14/h3-6H,1-2H3
InChIKeyHPAIUVXSCCOPDX-UHFFFAOYSA-N
XLogP2.73
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methylpyrimidin-2-yl)sulfanylfuran-2-yl]ethanone?
The IUPAC name of 1-[5-(5-methylpyrimidin-2-yl)sulfanylfuran-2-yl]ethanone (CID 104651919) is 1-[5-(5-methylpyrimidin-2-yl)sulfanylfuran-2-yl]ethanone.
What is the SMILES notation for 1-[5-(5-methylpyrimidin-2-yl)sulfanylfuran-2-yl]ethanone?
The canonical SMILES for 1-[5-(5-methylpyrimidin-2-yl)sulfanylfuran-2-yl]ethanone is CC(=O)c1ccc(Sc2ncc(C)cn2)o1.
What is the InChIKey of 1-[5-(5-methylpyrimidin-2-yl)sulfanylfuran-2-yl]ethanone?
The InChIKey is HPAIUVXSCCOPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-7-5-12-11(13-6-7)16-10-4-3-9(15-10)8(2)14/h3-6H,1-2H3.
What are the key properties of 1-[5-(5-methylpyrimidin-2-yl)sulfanylfuran-2-yl]ethanone?
1-[5-(5-methylpyrimidin-2-yl)sulfanylfuran-2-yl]ethanone has a molecular weight of 234.28 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methylpyrimidin-2-yl)sulfanylfuran-2-yl]ethanone is sourced from PubChem (CID 104651919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).