[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,5-difluorophenyl]methanol

C13H12F2N2OS — CID 55238911

IUPAC[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,5-difluorophenyl]methanol
SMILESCc1cc(C)nc(Sc2c(F)cc(CO)cc2F)n1
InChIInChI=1S/C13H12F2N2OS/c1-7-3-8(2)17-13(16-7)19-12-10(14)4-9(6-18)5-11(12)15/h3-5,18H,6H2,1-2H3
InChIKeyZZXVMURPMOSEAF-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.02
Rot. Bonds3

About [4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,5-difluorophenyl]methanol

[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,5-difluorophenyl]methanol (PubChem CID 55238911) has the molecular formula C13H12F2N2OS and a molecular weight of 282.31 g/mol. Its IUPAC name is [4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,5-difluorophenyl]methanol
PubChem CID55238911
Molecular FormulaC13H12F2N2OS
Molecular Weight282.31 g/mol
Exact Mass282.06
IUPAC Name[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,5-difluorophenyl]methanol
SMILESCc1cc(C)nc(Sc2c(F)cc(CO)cc2F)n1
InChIInChI=1S/C13H12F2N2OS/c1-7-3-8(2)17-13(16-7)19-12-10(14)4-9(6-18)5-11(12)15/h3-5,18H,6H2,1-2H3
InChIKeyZZXVMURPMOSEAF-UHFFFAOYSA-N
XLogP3.02
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-Dimethyl-2-{[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]sulfanyl}pyrimidine
CID 2276878
[2-Methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-phenylmethanol
CID 10804142
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
4-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-3-fluorobenzoic acid
CID 55106476
[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
1-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-5-fluorophenyl]ethanol
CID 55239101
(3,5-Difluoro-4-pyrimidin-4-ylsulfanylphenyl)methanol
CID 55239296

Frequently Asked Questions

What is the IUPAC name of [4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,5-difluorophenyl]methanol?
The IUPAC name of [4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,5-difluorophenyl]methanol (CID 55238911) is [4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,5-difluorophenyl]methanol is Cc1cc(C)nc(Sc2c(F)cc(CO)cc2F)n1.
What is the InChIKey of [4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,5-difluorophenyl]methanol?
The InChIKey is ZZXVMURPMOSEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2OS/c1-7-3-8(2)17-13(16-7)19-12-10(14)4-9(6-18)5-11(12)15/h3-5,18H,6H2,1-2H3.
What are the key properties of [4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,5-difluorophenyl]methanol?
[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,5-difluorophenyl]methanol has a molecular weight of 282.31 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,5-difluorophenyl]methanol is sourced from PubChem (CID 55238911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).