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

C22H15BrN2 — CID 609721

IUPAC2-(4-bromophenyl)-4,6-diphenylpyrimidine
SMILESBrc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H15BrN2/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
InChIKeyQLYUAISAKGDXCW-UHFFFAOYSA-N
MW387.28 g/mol
LogP6.24
Rot. Bonds3

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

2-(4-bromophenyl)-4,6-diphenylpyrimidine (PubChem CID 609721) has the molecular formula C22H15BrN2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4,6-diphenylpyrimidine
PubChem CID609721
Molecular FormulaC22H15BrN2
Molecular Weight387.28 g/mol
Exact Mass386.04
IUPAC Name2-(4-bromophenyl)-4,6-diphenylpyrimidine
SMILESBrc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H15BrN2/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
InChIKeyQLYUAISAKGDXCW-UHFFFAOYSA-N
XLogP6.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.28
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4,6-diphenylpyrimidine?
The IUPAC name of 2-(4-bromophenyl)-4,6-diphenylpyrimidine (CID 609721) is 2-(4-bromophenyl)-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-(4-bromophenyl)-4,6-diphenylpyrimidine?
The canonical SMILES for 2-(4-bromophenyl)-4,6-diphenylpyrimidine is Brc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4,6-diphenylpyrimidine?
The InChIKey is QLYUAISAKGDXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN2/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-bromophenyl)-4,6-diphenylpyrimidine?
2-(4-bromophenyl)-4,6-diphenylpyrimidine has a molecular weight of 387.28 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4,6-diphenylpyrimidine is sourced from PubChem (CID 609721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).