2-(4-fluorophenyl)-4,6-diphenylpyrimidine

C22H15FN2 — CID 86018978

IUPAC2-(4-fluorophenyl)-4,6-diphenylpyrimidine
SMILESFc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H15FN2/c23-19-13-11-18(12-14-19)22-24-20(16-7-3-1-4-8-16)15-21(25-22)17-9-5-2-6-10-17/h1-15H
InChIKeyNCOYBMXGQWXWMO-UHFFFAOYSA-N
MW326.37 g/mol
LogP5.62
Rot. Bonds3

About 2-(4-fluorophenyl)-4,6-diphenylpyrimidine

2-(4-fluorophenyl)-4,6-diphenylpyrimidine (PubChem CID 86018978) has the molecular formula C22H15FN2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4,6-diphenylpyrimidine
PubChem CID86018978
Molecular FormulaC22H15FN2
Molecular Weight326.37 g/mol
Exact Mass326.12
IUPAC Name2-(4-fluorophenyl)-4,6-diphenylpyrimidine
SMILESFc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H15FN2/c23-19-13-11-18(12-14-19)22-24-20(16-7-3-1-4-8-16)15-21(25-22)17-9-5-2-6-10-17/h1-15H
InChIKeyNCOYBMXGQWXWMO-UHFFFAOYSA-N
XLogP5.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.37
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4,6-diphenylpyrimidine?
The IUPAC name of 2-(4-fluorophenyl)-4,6-diphenylpyrimidine (CID 86018978) is 2-(4-fluorophenyl)-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-(4-fluorophenyl)-4,6-diphenylpyrimidine?
The canonical SMILES for 2-(4-fluorophenyl)-4,6-diphenylpyrimidine is Fc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4,6-diphenylpyrimidine?
The InChIKey is NCOYBMXGQWXWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2/c23-19-13-11-18(12-14-19)22-24-20(16-7-3-1-4-8-16)15-21(25-22)17-9-5-2-6-10-17/h1-15H.
What are the key properties of 2-(4-fluorophenyl)-4,6-diphenylpyrimidine?
2-(4-fluorophenyl)-4,6-diphenylpyrimidine has a molecular weight of 326.37 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4,6-diphenylpyrimidine is sourced from PubChem (CID 86018978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).