(1S)-1-[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanol

C13H13FN2OS — CID 55240444

IUPAC(1S)-1-[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanol
SMILESCc1cnc(Sc2ccc([C@H](C)O)cc2F)nc1
InChIInChI=1S/C13H13FN2OS/c1-8-6-15-13(16-7-8)18-12-4-3-10(9(2)17)5-11(12)14/h3-7,9,17H,1-2H3/t9-/m0/s1
InChIKeyQJISVTWRXYXWEK-VIFPVBQESA-N
MW264.32 g/mol
LogP3.13
Rot. Bonds3

About (1S)-1-[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanol

(1S)-1-[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanol (PubChem CID 55240444) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is (1S)-1-[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanol
PubChem CID55240444
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name(1S)-1-[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanol
SMILESCc1cnc(Sc2ccc([C@H](C)O)cc2F)nc1
InChIInChI=1S/C13H13FN2OS/c1-8-6-15-13(16-7-8)18-12-4-3-10(9(2)17)5-11(12)14/h3-7,9,17H,1-2H3/t9-/m0/s1
InChIKeyQJISVTWRXYXWEK-VIFPVBQESA-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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Related Compounds

4-[4-(5-Fluoro-4-methylsulfanyl-pyrimidin-2-yl)-piperazin-1-yl]-1-(4-fluoro-phenyl)-butan-1-ol
CID 10363230
(4-Fluoro-2-methylsulfanylpyrimidin-5-yl)-phenylmethanol
CID 10060663
Phenyl(5-pyrimidinyl)methanol, AldrichCPR
CID 11309948
2,2-Dimethyl-1-pyrimidin-5-yl-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol
CID 14304261
2,2-Dimethyl-1-pyrimidin-5-yl-3-[4-(trifluoromethylsulfinyl)phenyl]propan-1-ol
CID 14304262
5-[(2,5-Difluorophenyl)-hydroxymethyl]pyrimidine
CID 23114732
(2-Fluorophenyl)(4-methylthio-5-pyrimidinyl)methanol
CID 23227016
5-Fluoro-2-[(4-methylsulfanylphenyl)methoxy]pyrimidin-4-amine
CID 57819177
5-Fluoro-2-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]pyrimidin-4-amine
CID 57819361
(4-Fluorophenyl)(pyrimidin-5-yl)methanol
CID 62491025
1-[4-(5-Fluoro-4-methylsulfanylpyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol
CID 67945824
4,4-Dimethyl-3-pyrimidin-5-yl-1-[4-(trifluoromethylsulfanyl)phenyl]pentan-3-ol
CID 67951051

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanol?
The IUPAC name of (1S)-1-[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanol (CID 55240444) is (1S)-1-[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanol?
The canonical SMILES for (1S)-1-[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanol is Cc1cnc(Sc2ccc([C@H](C)O)cc2F)nc1.
What is the InChIKey of (1S)-1-[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanol?
The InChIKey is QJISVTWRXYXWEK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-8-6-15-13(16-7-8)18-12-4-3-10(9(2)17)5-11(12)14/h3-7,9,17H,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanol?
(1S)-1-[3-fluoro-4-(5-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 (1S)-1-[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanol is sourced from PubChem (CID 55240444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).