1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol

C13H13FN2OS — CID 63835947

IUPAC1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol
SMILESCc1ccnc(Sc2cccc(F)c2C(C)O)n1
InChIInChI=1S/C13H13FN2OS/c1-8-6-7-15-13(16-8)18-11-5-3-4-10(14)12(11)9(2)17/h3-7,9,17H,1-2H3
InChIKeySRQPPAMUHPJDCP-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.13
Rot. Bonds3

About 1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol

1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol (PubChem CID 63835947) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol
PubChem CID63835947
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol
SMILESCc1ccnc(Sc2cccc(F)c2C(C)O)n1
InChIInChI=1S/C13H13FN2OS/c1-8-6-7-15-13(16-8)18-11-5-3-4-10(14)12(11)9(2)17/h3-7,9,17H,1-2H3
InChIKeySRQPPAMUHPJDCP-UHFFFAOYSA-N
XLogP3.13
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol?
The IUPAC name of 1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol (CID 63835947) is 1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol.
What is the SMILES notation for 1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol?
The canonical SMILES for 1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol is Cc1ccnc(Sc2cccc(F)c2C(C)O)n1.
What is the InChIKey of 1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol?
The InChIKey is SRQPPAMUHPJDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-8-6-7-15-13(16-8)18-11-5-3-4-10(14)12(11)9(2)17/h3-7,9,17H,1-2H3.
What are the key properties of 1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol?
1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol has a molecular weight of 264.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol is sourced from PubChem (CID 63835947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).