4-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]methyl]phenol

C24H19FN2O3S — CID 45272862

IUPAC4-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]methyl]phenol
SMILESCS(=O)(=O)c1ccc(-c2cnc(Cc3ccc(O)cc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H19FN2O3S/c1-31(29,30)21-12-6-17(7-13-21)22-15-26-23(14-16-2-10-20(28)11-3-16)27-24(22)18-4-8-19(25)9-5-18/h2-13,15,28H,14H2,1H3
InChIKeyCXJWPEOCWHFLMS-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.65
Rot. Bonds5

About 4-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]methyl]phenol

4-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]methyl]phenol (PubChem CID 45272862) has the molecular formula C24H19FN2O3S and a molecular weight of 434.49 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]methyl]phenol
PubChem CID45272862
Molecular FormulaC24H19FN2O3S
Molecular Weight434.49 g/mol
Exact Mass434.11
IUPAC Name4-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]methyl]phenol
SMILESCS(=O)(=O)c1ccc(-c2cnc(Cc3ccc(O)cc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H19FN2O3S/c1-31(29,30)21-12-6-17(7-13-21)22-15-26-23(14-16-2-10-20(28)11-3-16)27-24(22)18-4-8-19(25)9-5-18/h2-13,15,28H,14H2,1H3
InChIKeyCXJWPEOCWHFLMS-UHFFFAOYSA-N
XLogP4.65
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]methyl]phenol?
The IUPAC name of 4-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]methyl]phenol (CID 45272862) is 4-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]methyl]phenol.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]methyl]phenol?
The canonical SMILES for 4-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]methyl]phenol is CS(=O)(=O)c1ccc(-c2cnc(Cc3ccc(O)cc3)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]methyl]phenol?
The InChIKey is CXJWPEOCWHFLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3S/c1-31(29,30)21-12-6-17(7-13-21)22-15-26-23(14-16-2-10-20(28)11-3-16)27-24(22)18-4-8-19(25)9-5-18/h2-13,15,28H,14H2,1H3.
What are the key properties of 4-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]methyl]phenol?
4-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]methyl]phenol has a molecular weight of 434.49 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]methyl]phenol is sourced from PubChem (CID 45272862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).