1-(1-benzofuran-3-yl)-2-pyrimidin-4-ylsulfanylethanone

C14H10N2O2S — CID 55228253

IUPAC1-(1-benzofuran-3-yl)-2-pyrimidin-4-ylsulfanylethanone
SMILESO=C(CSc1ccncn1)c1coc2ccccc12
InChIInChI=1S/C14H10N2O2S/c17-12(8-19-14-5-6-15-9-16-14)11-7-18-13-4-2-1-3-10(11)13/h1-7,9H,8H2
InChIKeyMYRBKRDYLMVSFT-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.20
Rot. Bonds4

About 1-(1-benzofuran-3-yl)-2-pyrimidin-4-ylsulfanylethanone

1-(1-benzofuran-3-yl)-2-pyrimidin-4-ylsulfanylethanone (PubChem CID 55228253) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-pyrimidin-4-ylsulfanylethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-pyrimidin-4-ylsulfanylethanone
PubChem CID55228253
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name1-(1-benzofuran-3-yl)-2-pyrimidin-4-ylsulfanylethanone
SMILESO=C(CSc1ccncn1)c1coc2ccccc12
InChIInChI=1S/C14H10N2O2S/c17-12(8-19-14-5-6-15-9-16-14)11-7-18-13-4-2-1-3-10(11)13/h1-7,9H,8H2
InChIKeyMYRBKRDYLMVSFT-UHFFFAOYSA-N
XLogP3.20
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzofuran-3-yl)-2-(4-chlorophenyl)sulfanylethanone
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1-(1-benzofuran-3-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 60875235
1-(1-benzofuran-3-yl)-2-(2-methylimidazol-1-yl)ethanone
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1-(2,4-dimethylphenyl)-2-pyrimidin-4-ylsulfanylethanone
CID 55225547
1-(1-benzofuran-3-yl)-2-pyrazin-2-ylethanone
CID 116832768
CID 89242212
CID 89242212
1-(1-benzofuran-3-yl)-2-chloroethanone
CID 77174807
1-(1-benzofuran-3-yl)-2-(2-methylsulfonylethylsulfanyl)ethanone
CID 63659750
1-(1-benzofuran-3-yl)-2-butan-2-ylsulfanylethanone
CID 43802021
1-(1-benzofuran-3-yl)-2-(oxan-4-ylsulfanyl)ethanone
CID 62997188
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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-pyrimidin-4-ylsulfanylethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-pyrimidin-4-ylsulfanylethanone (CID 55228253) is 1-(1-benzofuran-3-yl)-2-pyrimidin-4-ylsulfanylethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-pyrimidin-4-ylsulfanylethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-pyrimidin-4-ylsulfanylethanone is O=C(CSc1ccncn1)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-pyrimidin-4-ylsulfanylethanone?
The InChIKey is MYRBKRDYLMVSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c17-12(8-19-14-5-6-15-9-16-14)11-7-18-13-4-2-1-3-10(11)13/h1-7,9H,8H2.
What are the key properties of 1-(1-benzofuran-3-yl)-2-pyrimidin-4-ylsulfanylethanone?
1-(1-benzofuran-3-yl)-2-pyrimidin-4-ylsulfanylethanone has a molecular weight of 270.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-pyrimidin-4-ylsulfanylethanone is sourced from PubChem (CID 55228253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).