4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine

C23H18FN3O2S — CID 45268625

IUPAC4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(Nc3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H18FN3O2S/c1-30(28,29)20-13-9-16(10-14-20)21-15-25-23(26-19-5-3-2-4-6-19)27-22(21)17-7-11-18(24)12-8-17/h2-15H,1H3,(H,25,26,27)
InChIKeyVOUVVXFHPYNZOA-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.10
Rot. Bonds5

About 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine

4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine (PubChem CID 45268625) has the molecular formula C23H18FN3O2S and a molecular weight of 419.48 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine
PubChem CID45268625
Molecular FormulaC23H18FN3O2S
Molecular Weight419.48 g/mol
Exact Mass419.11
IUPAC Name4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(Nc3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H18FN3O2S/c1-30(28,29)20-13-9-16(10-14-20)21-15-25-23(26-19-5-3-2-4-6-19)27-22(21)17-7-11-18(24)12-8-17/h2-15H,1H3,(H,25,26,27)
InChIKeyVOUVVXFHPYNZOA-UHFFFAOYSA-N
XLogP5.10
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine (CID 45268625) is 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine is CS(=O)(=O)c1ccc(-c2cnc(Nc3ccccc3)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine?
The InChIKey is VOUVVXFHPYNZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2S/c1-30(28,29)20-13-9-16(10-14-20)21-15-25-23(26-19-5-3-2-4-6-19)27-22(21)17-7-11-18(24)12-8-17/h2-15H,1H3,(H,25,26,27).
What are the key properties of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine?
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine has a molecular weight of 419.48 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 45268625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).