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

C13H13FN2OS — CID 55238153

IUPAC(1R)-1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol
SMILESCc1ccnc(Sc2cccc(F)c2[C@@H](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/t9-/m1/s1
InChIKeySRQPPAMUHPJDCP-SECBINFHSA-N
MW264.32 g/mol
LogP3.13
Rot. Bonds3

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

(1R)-1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol (PubChem CID 55238153) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol
PubChem CID55238153
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name(1R)-1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol
SMILESCc1ccnc(Sc2cccc(F)c2[C@@H](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/t9-/m1/s1
InChIKeySRQPPAMUHPJDCP-SECBINFHSA-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-Fluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol
CID 46948098
(3,4-Difluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol
CID 49790529
1-Phenyl-2-pyrimidin-4-ylethanol
CID 2737632
(4-Fluoro-2-methylsulfanylpyrimidin-5-yl)-phenylmethanol
CID 10060663
[2-(2-Methylsulfanylpyrimidin-4-yl)phenyl]methanol
CID 56722954
(2-Fluorophenyl)(4-methylthio-5-pyrimidinyl)methanol
CID 23227016
[4-(4-Fluorophenyl)-2-(methylsulfanyl)pyrimidin-5-yl]methanol
CID 46941731
(2-Fluorophenyl)-pyrimidin-4-ylmethanol
CID 63987870
(4-Fluorophenyl)(pyrimidin-4-yl)methanol
CID 63988718
(4-Ethylpyrimidin-5-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 67704290
1-[5-(2-Aminopyrimidin-4-yl)-2-fluorophenyl]propan-1-ol
CID 68360499
1-[3-[5-(2-Chloropyrimidin-4-yl)-2-(fluoromethyl)-1,3-thiazol-4-yl]phenyl]ethanol
CID 89199116

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol?
The IUPAC name of (1R)-1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol (CID 55238153) is (1R)-1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol?
The canonical SMILES for (1R)-1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol is Cc1ccnc(Sc2cccc(F)c2[C@@H](C)O)n1.
What is the InChIKey of (1R)-1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol?
The InChIKey is SRQPPAMUHPJDCP-SECBINFHSA-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/t9-/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol?
(1R)-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 (1R)-1-[2-fluoro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol is sourced from PubChem (CID 55238153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).