(3,5-difluoro-4-pyrimidin-4-ylsulfanylphenyl)methanol

C11H8F2N2OS — CID 55239296

IUPAC(3,5-difluoro-4-pyrimidin-4-ylsulfanylphenyl)methanol
SMILESOCc1cc(F)c(Sc2ccncn2)c(F)c1
InChIInChI=1S/C11H8F2N2OS/c12-8-3-7(5-16)4-9(13)11(8)17-10-1-2-14-6-15-10/h1-4,6,16H,5H2
InChIKeyBGHTZQJSHXQDNJ-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.40
Rot. Bonds3

About (3,5-difluoro-4-pyrimidin-4-ylsulfanylphenyl)methanol

(3,5-difluoro-4-pyrimidin-4-ylsulfanylphenyl)methanol (PubChem CID 55239296) has the molecular formula C11H8F2N2OS and a molecular weight of 254.26 g/mol. Its IUPAC name is (3,5-difluoro-4-pyrimidin-4-ylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(3,5-difluoro-4-pyrimidin-4-ylsulfanylphenyl)methanol
PubChem CID55239296
Molecular FormulaC11H8F2N2OS
Molecular Weight254.26 g/mol
Exact Mass254.03
IUPAC Name(3,5-difluoro-4-pyrimidin-4-ylsulfanylphenyl)methanol
SMILESOCc1cc(F)c(Sc2ccncn2)c(F)c1
InChIInChI=1S/C11H8F2N2OS/c12-8-3-7(5-16)4-9(13)11(8)17-10-1-2-14-6-15-10/h1-4,6,16H,5H2
InChIKeyBGHTZQJSHXQDNJ-UHFFFAOYSA-N
XLogP2.40
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.40
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
(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)-(4-methylsulfanylpyrimidin-5-yl)methanol
CID 139894396
1-(4-Fluorophenyl)-2-methyl-1-(4-methylsulfanylpyrimidin-5-yl)propan-1-ol
CID 139894397
(4-Fluorophenyl)-[1-(4-methylsulfanylpyrimidin-5-yl)cyclopropyl]methanol
CID 139894400
3-(4-Fluorophenyl)-3-hydroxy-2-(4-methylsulfanylpyrimidin-2-yl)propanenitrile
CID 141143596
2-[2-[(2,3-Difluorophenyl)methylsulfanyl]pyrimidin-4-yl]sulfanylpropane-1,3-diol
CID 141306730
N-Bis-[4-(2-methylmercapto-pyrimidinyl)]-O-benzyl-hydroxylamin
CID 129629677
3-Fluoro-4-pyrimidin-2-ylsulfanylbenzoic acid
CID 55106048

Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-4-pyrimidin-4-ylsulfanylphenyl)methanol?
The IUPAC name of (3,5-difluoro-4-pyrimidin-4-ylsulfanylphenyl)methanol (CID 55239296) is (3,5-difluoro-4-pyrimidin-4-ylsulfanylphenyl)methanol.
What is the SMILES notation for (3,5-difluoro-4-pyrimidin-4-ylsulfanylphenyl)methanol?
The canonical SMILES for (3,5-difluoro-4-pyrimidin-4-ylsulfanylphenyl)methanol is OCc1cc(F)c(Sc2ccncn2)c(F)c1.
What is the InChIKey of (3,5-difluoro-4-pyrimidin-4-ylsulfanylphenyl)methanol?
The InChIKey is BGHTZQJSHXQDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2OS/c12-8-3-7(5-16)4-9(13)11(8)17-10-1-2-14-6-15-10/h1-4,6,16H,5H2.
What are the key properties of (3,5-difluoro-4-pyrimidin-4-ylsulfanylphenyl)methanol?
(3,5-difluoro-4-pyrimidin-4-ylsulfanylphenyl)methanol has a molecular weight of 254.26 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-4-pyrimidin-4-ylsulfanylphenyl)methanol is sourced from PubChem (CID 55239296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).