2-(2,5-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanol

C13H12F2N2O — CID 115527940

IUPAC2-(2,5-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanol
SMILESCc1nccc(C(O)Cc2cc(F)ccc2F)n1
InChIInChI=1S/C13H12F2N2O/c1-8-16-5-4-12(17-8)13(18)7-9-6-10(14)2-3-11(9)15/h2-6,13,18H,7H2,1H3
InChIKeyPYMMBTFDSKUEKB-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.34
Rot. Bonds3

About 2-(2,5-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanol

2-(2,5-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanol (PubChem CID 115527940) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanol.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanol
PubChem CID115527940
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name2-(2,5-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanol
SMILESCc1nccc(C(O)Cc2cc(F)ccc2F)n1
InChIInChI=1S/C13H12F2N2O/c1-8-16-5-4-12(17-8)13(18)7-9-6-10(14)2-3-11(9)15/h2-6,13,18H,7H2,1H3
InChIKeyPYMMBTFDSKUEKB-UHFFFAOYSA-N
XLogP2.34
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol
CID 104793243
2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 102619243
4-amino-1-(2-methylpyrimidin-4-yl)butan-1-ol
CID 82408295
2-(2,5-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105081046
2-(2,5-difluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol
CID 114981981
2-(2,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanol
CID 114982000
2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 63893918
1-(5-chloro-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373532
1-(2-methylpyrimidin-4-yl)tridecan-1-ol
CID 115528032
2-(furan-2-yl)-1-(2-methylpyrimidin-4-yl)ethanol
CID 83171939
2-(2,5-difluorophenyl)-1-pyridazin-4-ylethanol
CID 105081030
2-(5-fluoro-2-methylphenyl)-1-quinoxalin-2-ylethanol
CID 107357762

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanol?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanol (CID 115527940) is 2-(2,5-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanol.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanol?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanol is Cc1nccc(C(O)Cc2cc(F)ccc2F)n1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanol?
The InChIKey is PYMMBTFDSKUEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-8-16-5-4-12(17-8)13(18)7-9-6-10(14)2-3-11(9)15/h2-6,13,18H,7H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanol?
2-(2,5-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanol has a molecular weight of 250.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanol is sourced from PubChem (CID 115527940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).