1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluorophenyl]ethanol

C14H15FN2OS — CID 55239101

IUPAC1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluorophenyl]ethanol
SMILESCc1cc(C)nc(Sc2ccc(F)cc2C(C)O)n1
InChIInChI=1S/C14H15FN2OS/c1-8-6-9(2)17-14(16-8)19-13-5-4-11(15)7-12(13)10(3)18/h4-7,10,18H,1-3H3
InChIKeyJBLMWSWJMWWHCZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.44
Rot. Bonds3

About 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluorophenyl]ethanol

1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluorophenyl]ethanol (PubChem CID 55239101) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluorophenyl]ethanol
PubChem CID55239101
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluorophenyl]ethanol
SMILESCc1cc(C)nc(Sc2ccc(F)cc2C(C)O)n1
InChIInChI=1S/C14H15FN2OS/c1-8-6-9(2)17-14(16-8)19-13-5-4-11(15)7-12(13)10(3)18/h4-7,10,18H,1-3H3
InChIKeyJBLMWSWJMWWHCZ-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(E)-2-(2-amino-6-methylsulfanylpyrimidin-4-yl)ethenyl]phenol
CID 136239348
[2-Methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-phenylmethanol
CID 10804142
1-(4,6-Dimethylpyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea
CID 19377377
4-(4-Fluorophenyl)-5-hydroxymethyl-6-isopropyl-2-methylthiopyrimidine
CID 29980411
1-Phenyl-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropan-1-ol
CID 145445026
1-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-3-phenylmethoxypropan-2-ol
CID 602976
2-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-3-fluorobenzoic acid
CID 55099616
[4-(4,6-Diaminopyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol
CID 55237968
[3,5-Difluoro-4-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol
CID 55238151
(1R)-1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 55238153
(1S)-1-[2-(4,6-diaminopyrimidin-2-yl)sulfanyl-6-fluorophenyl]ethanol
CID 55238159
(1S)-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluorophenyl]ethanol
CID 55238720

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluorophenyl]ethanol?
The IUPAC name of 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluorophenyl]ethanol (CID 55239101) is 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluorophenyl]ethanol is Cc1cc(C)nc(Sc2ccc(F)cc2C(C)O)n1.
What is the InChIKey of 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluorophenyl]ethanol?
The InChIKey is JBLMWSWJMWWHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-8-6-9(2)17-14(16-8)19-13-5-4-11(15)7-12(13)10(3)18/h4-7,10,18H,1-3H3.
What are the key properties of 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluorophenyl]ethanol?
1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluorophenyl]ethanol has a molecular weight of 278.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluorophenyl]ethanol is sourced from PubChem (CID 55239101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).