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

C24H20FN3O2S — CID 45273803

IUPAC4-(4-fluorophenyl)-N-methyl-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine
SMILESCN(c1ccccc1)c1ncc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H20FN3O2S/c1-28(20-6-4-3-5-7-20)24-26-16-22(17-10-14-21(15-11-17)31(2,29)30)23(27-24)18-8-12-19(25)13-9-18/h3-16H,1-2H3
InChIKeyJVTATFGCZBSYAY-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.12
Rot. Bonds5

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

4-(4-fluorophenyl)-N-methyl-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine (PubChem CID 45273803) has the molecular formula C24H20FN3O2S and a molecular weight of 433.51 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-methyl-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-methyl-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine
PubChem CID45273803
Molecular FormulaC24H20FN3O2S
Molecular Weight433.51 g/mol
Exact Mass433.13
IUPAC Name4-(4-fluorophenyl)-N-methyl-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine
SMILESCN(c1ccccc1)c1ncc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H20FN3O2S/c1-28(20-6-4-3-5-7-20)24-26-16-22(17-10-14-21(15-11-17)31(2,29)30)23(27-24)18-8-12-19(25)13-9-18/h3-16H,1-2H3
InChIKeyJVTATFGCZBSYAY-UHFFFAOYSA-N
XLogP5.12
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-methyl-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-methyl-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine (CID 45273803) is 4-(4-fluorophenyl)-N-methyl-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-methyl-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-methyl-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine is CN(c1ccccc1)c1ncc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-N-methyl-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine?
The InChIKey is JVTATFGCZBSYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2S/c1-28(20-6-4-3-5-7-20)24-26-16-22(17-10-14-21(15-11-17)31(2,29)30)23(27-24)18-8-12-19(25)13-9-18/h3-16H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-N-methyl-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine?
4-(4-fluorophenyl)-N-methyl-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine has a molecular weight of 433.51 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-methyl-5-(4-methylsulfonylphenyl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 45273803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).