6-(2-fluorophenyl)-2-phenyl-N-pyridin-4-ylpyrimidin-4-amine

C21H15FN4 — CID 3466655

IUPAC6-(2-fluorophenyl)-2-phenyl-N-pyridin-4-ylpyrimidin-4-amine
SMILESFc1ccccc1-c1cc(Nc2ccncc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H15FN4/c22-18-9-5-4-8-17(18)19-14-20(24-16-10-12-23-13-11-16)26-21(25-19)15-6-2-1-3-7-15/h1-14H,(H,23,24,25,26)
InChIKeyZJKKVJPPBALCCA-UHFFFAOYSA-N
MW342.38 g/mol
LogP5.09
Rot. Bonds4

About 6-(2-fluorophenyl)-2-phenyl-N-pyridin-4-ylpyrimidin-4-amine

6-(2-fluorophenyl)-2-phenyl-N-pyridin-4-ylpyrimidin-4-amine (PubChem CID 3466655) has the molecular formula C21H15FN4 and a molecular weight of 342.38 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-2-phenyl-N-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-fluorophenyl)-2-phenyl-N-pyridin-4-ylpyrimidin-4-amine
PubChem CID3466655
Molecular FormulaC21H15FN4
Molecular Weight342.38 g/mol
Exact Mass342.13
IUPAC Name6-(2-fluorophenyl)-2-phenyl-N-pyridin-4-ylpyrimidin-4-amine
SMILESFc1ccccc1-c1cc(Nc2ccncc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H15FN4/c22-18-9-5-4-8-17(18)19-14-20(24-16-10-12-23-13-11-16)26-21(25-19)15-6-2-1-3-7-15/h1-14H,(H,23,24,25,26)
InChIKeyZJKKVJPPBALCCA-UHFFFAOYSA-N
XLogP5.09
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.38
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-2-phenyl-N-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-(2-fluorophenyl)-2-phenyl-N-pyridin-4-ylpyrimidin-4-amine (CID 3466655) is 6-(2-fluorophenyl)-2-phenyl-N-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-fluorophenyl)-2-phenyl-N-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2-fluorophenyl)-2-phenyl-N-pyridin-4-ylpyrimidin-4-amine is Fc1ccccc1-c1cc(Nc2ccncc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(2-fluorophenyl)-2-phenyl-N-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is ZJKKVJPPBALCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4/c22-18-9-5-4-8-17(18)19-14-20(24-16-10-12-23-13-11-16)26-21(25-19)15-6-2-1-3-7-15/h1-14H,(H,23,24,25,26).
What are the key properties of 6-(2-fluorophenyl)-2-phenyl-N-pyridin-4-ylpyrimidin-4-amine?
6-(2-fluorophenyl)-2-phenyl-N-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 342.38 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-2-phenyl-N-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 3466655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).