4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyrimidine

C24H18F2N2O2S — CID 45268615

IUPAC4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyrimidine
SMILESCS(=O)(=O)c1ccc(-c2cnc(Cc3ccc(F)cc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H18F2N2O2S/c1-31(29,30)21-12-6-17(7-13-21)22-15-27-23(14-16-2-8-19(25)9-3-16)28-24(22)18-4-10-20(26)11-5-18/h2-13,15H,14H2,1H3
InChIKeyIHVOKFSTLXFPQC-UHFFFAOYSA-N
MW436.48 g/mol
LogP5.08
Rot. Bonds5

About 4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyrimidine

4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyrimidine (PubChem CID 45268615) has the molecular formula C24H18F2N2O2S and a molecular weight of 436.48 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyrimidine
PubChem CID45268615
Molecular FormulaC24H18F2N2O2S
Molecular Weight436.48 g/mol
Exact Mass436.11
IUPAC Name4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyrimidine
SMILESCS(=O)(=O)c1ccc(-c2cnc(Cc3ccc(F)cc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H18F2N2O2S/c1-31(29,30)21-12-6-17(7-13-21)22-15-27-23(14-16-2-8-19(25)9-3-16)28-24(22)18-4-10-20(26)11-5-18/h2-13,15H,14H2,1H3
InChIKeyIHVOKFSTLXFPQC-UHFFFAOYSA-N
XLogP5.08
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.48
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyrimidine?
The IUPAC name of 4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyrimidine (CID 45268615) is 4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyrimidine is CS(=O)(=O)c1ccc(-c2cnc(Cc3ccc(F)cc3)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyrimidine?
The InChIKey is IHVOKFSTLXFPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O2S/c1-31(29,30)21-12-6-17(7-13-21)22-15-27-23(14-16-2-8-19(25)9-3-16)28-24(22)18-4-10-20(26)11-5-18/h2-13,15H,14H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyrimidine?
4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyrimidine has a molecular weight of 436.48 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyrimidine is sourced from PubChem (CID 45268615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).