1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-4-ylsulfanylethanone

C12H9FN2O2S — CID 63696412

IUPAC1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-4-ylsulfanylethanone
SMILESO=C(CSc1ccncn1)c1cc(F)ccc1O
InChIInChI=1S/C12H9FN2O2S/c13-8-1-2-10(16)9(5-8)11(17)6-18-12-3-4-14-7-15-12/h1-5,7,16H,6H2
InChIKeyIGGFEHAFNATQJO-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.30
Rot. Bonds4

About 1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-4-ylsulfanylethanone

1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-4-ylsulfanylethanone (PubChem CID 63696412) has the molecular formula C12H9FN2O2S and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-4-ylsulfanylethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-4-ylsulfanylethanone
PubChem CID63696412
Molecular FormulaC12H9FN2O2S
Molecular Weight264.28 g/mol
Exact Mass264.04
IUPAC Name1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-4-ylsulfanylethanone
SMILESO=C(CSc1ccncn1)c1cc(F)ccc1O
InChIInChI=1S/C12H9FN2O2S/c13-8-1-2-10(16)9(5-8)11(17)6-18-12-3-4-14-7-15-12/h1-5,7,16H,6H2
InChIKeyIGGFEHAFNATQJO-UHFFFAOYSA-N
XLogP2.30
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-Dihydroxyphenyl)-2-(2-pyrimidinylsulfanyl)ethanone
CID 805139
1-(2,4-Dihydroxyphenyl)-2-[(6-methylpyrimidin-4-yl)thio]ethanone
CID 23611430
(3R)-2-hydroxy-3-pyrimidin-2-ylsulfanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
CID 156017038
1-{2-[3-(2-Pyrimidinylthio)propoxy]phenyl}-1-propanone
CID 2948957
Pyrimidine salicylic acid
CID 22340986
1-(2,4-Dihydroxyphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone
CID 33750992
1-(5-Fluoro-2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanone
CID 43412149
1-(5-Fluoro-2-hydroxyphenyl)-2-pyrimidin-2-ylsulfanylethanone
CID 43654788
1-(5-Fluoro-2-hydroxyphenyl)-2-pyridin-2-ylsulfanylethanone
CID 43654803
1-[5-Fluoro-2-hydroxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanone
CID 43794095
1-(5-Fluoro-2-hydroxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 55053722
3-Fluoro-4-pyrimidin-2-ylsulfanylbenzoic acid
CID 55106048

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-4-ylsulfanylethanone?
The IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-4-ylsulfanylethanone (CID 63696412) is 1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-4-ylsulfanylethanone.
What is the SMILES notation for 1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-4-ylsulfanylethanone?
The canonical SMILES for 1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-4-ylsulfanylethanone is O=C(CSc1ccncn1)c1cc(F)ccc1O.
What is the InChIKey of 1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-4-ylsulfanylethanone?
The InChIKey is IGGFEHAFNATQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2S/c13-8-1-2-10(16)9(5-8)11(17)6-18-12-3-4-14-7-15-12/h1-5,7,16H,6H2.
What are the key properties of 1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-4-ylsulfanylethanone?
1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-4-ylsulfanylethanone has a molecular weight of 264.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-4-ylsulfanylethanone is sourced from PubChem (CID 63696412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).