[5-fluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol

C14H15FN2OS — CID 65041192

IUPAC[5-fluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol
SMILESCc1nc(Sc2ccc(F)cc2CO)nc(C)c1C
InChIInChI=1S/C14H15FN2OS/c1-8-9(2)16-14(17-10(8)3)19-13-5-4-12(15)6-11(13)7-18/h4-6,18H,7H2,1-3H3
InChIKeyWFJJTLABEIXHFX-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.18
Rot. Bonds3

About [5-fluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol

[5-fluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol (PubChem CID 65041192) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is [5-fluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol.

Molecular Properties

Compound Name[5-fluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol
PubChem CID65041192
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name[5-fluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol
SMILESCc1nc(Sc2ccc(F)cc2CO)nc(C)c1C
InChIInChI=1S/C14H15FN2OS/c1-8-9(2)16-14(17-10(8)3)19-13-5-4-12(15)6-11(13)7-18/h4-6,18H,7H2,1-3H3
InChIKeyWFJJTLABEIXHFX-UHFFFAOYSA-N
XLogP3.18
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol?
The IUPAC name of [5-fluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol (CID 65041192) is [5-fluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol.
What is the SMILES notation for [5-fluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol?
The canonical SMILES for [5-fluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol is Cc1nc(Sc2ccc(F)cc2CO)nc(C)c1C.
What is the InChIKey of [5-fluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol?
The InChIKey is WFJJTLABEIXHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-8-9(2)16-14(17-10(8)3)19-13-5-4-12(15)6-11(13)7-18/h4-6,18H,7H2,1-3H3.
What are the key properties of [5-fluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol?
[5-fluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol has a molecular weight of 278.35 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol is sourced from PubChem (CID 65041192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).