(1R)-1-[2-fluoro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol

C15H17FN2OS — CID 65041044

IUPAC(1R)-1-[2-fluoro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol
SMILESCc1nc(Sc2cccc(F)c2[C@@H](C)O)nc(C)c1C
InChIInChI=1S/C15H17FN2OS/c1-8-9(2)17-15(18-10(8)3)20-13-7-5-6-12(16)14(13)11(4)19/h5-7,11,19H,1-4H3/t11-/m1/s1
InChIKeyYIQGQTFVWDJBAY-LLVKDONJSA-N
MW292.38 g/mol
LogP3.75
Rot. Bonds3

About (1R)-1-[2-fluoro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol

(1R)-1-[2-fluoro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol (PubChem CID 65041044) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol
PubChem CID65041044
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name(1R)-1-[2-fluoro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol
SMILESCc1nc(Sc2cccc(F)c2[C@@H](C)O)nc(C)c1C
InChIInChI=1S/C15H17FN2OS/c1-8-9(2)17-15(18-10(8)3)20-13-7-5-6-12(16)14(13)11(4)19/h5-7,11,19H,1-4H3/t11-/m1/s1
InChIKeyYIQGQTFVWDJBAY-LLVKDONJSA-N
XLogP3.75
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol?
The IUPAC name of (1R)-1-[2-fluoro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol (CID 65041044) is (1R)-1-[2-fluoro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-fluoro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol?
The canonical SMILES for (1R)-1-[2-fluoro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol is Cc1nc(Sc2cccc(F)c2[C@@H](C)O)nc(C)c1C.
What is the InChIKey of (1R)-1-[2-fluoro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol?
The InChIKey is YIQGQTFVWDJBAY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-8-9(2)17-15(18-10(8)3)20-13-7-5-6-12(16)14(13)11(4)19/h5-7,11,19H,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol?
(1R)-1-[2-fluoro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol has a molecular weight of 292.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol is sourced from PubChem (CID 65041044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).