1-(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)ethanol

C12H11FN2OS — CID 63834992

IUPAC1-(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)ethanol
SMILESCC(O)c1cc(F)ccc1Sc1ccncn1
InChIInChI=1S/C12H11FN2OS/c1-8(16)10-6-9(13)2-3-11(10)17-12-4-5-14-7-15-12/h2-8,16H,1H3
InChIKeyWDUHUPCILQSNBG-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.82
Rot. Bonds3

About 1-(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)ethanol

1-(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)ethanol (PubChem CID 63834992) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)ethanol
PubChem CID63834992
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name1-(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)ethanol
SMILESCC(O)c1cc(F)ccc1Sc1ccncn1
InChIInChI=1S/C12H11FN2OS/c1-8(16)10-6-9(13)2-3-11(10)17-12-4-5-14-7-15-12/h2-8,16H,1H3
InChIKeyWDUHUPCILQSNBG-UHFFFAOYSA-N
XLogP2.82
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-fluoro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanol
CID 63835700
(1R)-1-(2-fluoro-6-pyrimidin-4-ylsulfanylphenyl)ethanol
CID 55239486
1-[5-fluoro-2-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol
CID 107783375
(1S)-1-(3-bromo-4-pyrimidin-4-ylsulfanylphenyl)ethanol
CID 78951799
5-fluoro-2-pyrimidin-4-ylsulfanylbenzaldehyde
CID 63801901
(1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol
CID 78951625
(1R)-1-[5-fluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 78951688
2-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]sulfanyl-1H-pyrimidin-6-one
CID 63814474
(1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol
CID 63813957
1-pyrimidin-4-ylsulfanylethanol
CID 54459485
(1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol
CID 78951488
(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol
CID 78952064

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)ethanol?
The IUPAC name of 1-(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)ethanol (CID 63834992) is 1-(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)ethanol.
What is the SMILES notation for 1-(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)ethanol?
The canonical SMILES for 1-(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)ethanol is CC(O)c1cc(F)ccc1Sc1ccncn1.
What is the InChIKey of 1-(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)ethanol?
The InChIKey is WDUHUPCILQSNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-8(16)10-6-9(13)2-3-11(10)17-12-4-5-14-7-15-12/h2-8,16H,1H3.
What are the key properties of 1-(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)ethanol?
1-(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)ethanol has a molecular weight of 250.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)ethanol is sourced from PubChem (CID 63834992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).