1-(4-fluoro-2-methylsulfanylpyrimidin-5-yl)ethanol

C7H9FN2OS — CID 10419979

IUPAC1-(4-fluoro-2-methylsulfanylpyrimidin-5-yl)ethanol
SMILESCSc1ncc(C(C)O)c(F)n1
InChIInChI=1S/C7H9FN2OS/c1-4(11)5-3-9-7(12-2)10-6(5)8/h3-4,11H,1-2H3
InChIKeyHYNJWBHVSUTMGS-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.39
Rot. Bonds2

About 1-(4-fluoro-2-methylsulfanylpyrimidin-5-yl)ethanol

1-(4-fluoro-2-methylsulfanylpyrimidin-5-yl)ethanol (PubChem CID 10419979) has the molecular formula C7H9FN2OS and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylsulfanylpyrimidin-5-yl)ethanol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylsulfanylpyrimidin-5-yl)ethanol
PubChem CID10419979
Molecular FormulaC7H9FN2OS
Molecular Weight188.23 g/mol
Exact Mass188.04
IUPAC Name1-(4-fluoro-2-methylsulfanylpyrimidin-5-yl)ethanol
SMILESCSc1ncc(C(C)O)c(F)n1
InChIInChI=1S/C7H9FN2OS/c1-4(11)5-3-9-7(12-2)10-6(5)8/h3-4,11H,1-2H3
InChIKeyHYNJWBHVSUTMGS-UHFFFAOYSA-N
XLogP1.39
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylsulfanylpyrimidin-5-yl)ethanol?
The IUPAC name of 1-(4-fluoro-2-methylsulfanylpyrimidin-5-yl)ethanol (CID 10419979) is 1-(4-fluoro-2-methylsulfanylpyrimidin-5-yl)ethanol.
What is the SMILES notation for 1-(4-fluoro-2-methylsulfanylpyrimidin-5-yl)ethanol?
The canonical SMILES for 1-(4-fluoro-2-methylsulfanylpyrimidin-5-yl)ethanol is CSc1ncc(C(C)O)c(F)n1.
What is the InChIKey of 1-(4-fluoro-2-methylsulfanylpyrimidin-5-yl)ethanol?
The InChIKey is HYNJWBHVSUTMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2OS/c1-4(11)5-3-9-7(12-2)10-6(5)8/h3-4,11H,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylsulfanylpyrimidin-5-yl)ethanol?
1-(4-fluoro-2-methylsulfanylpyrimidin-5-yl)ethanol has a molecular weight of 188.23 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylsulfanylpyrimidin-5-yl)ethanol is sourced from PubChem (CID 10419979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).