4-(3,5-dibromophenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine

C27H17Br2N3 — CID 130262354

IUPAC4-(3,5-dibromophenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
SMILESBrc1cc(Br)cc(-c2cc(-c3cccc(-c4cccnc4)c3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C27H17Br2N3/c28-23-13-22(14-24(29)15-23)26-16-25(31-27(32-26)18-6-2-1-3-7-18)20-9-4-8-19(12-20)21-10-5-11-30-17-21/h1-17H
InChIKeyLUIADIQDYROWMK-UHFFFAOYSA-N
MW543.26 g/mol
LogP8.06
Rot. Bonds4

About 4-(3,5-dibromophenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine

4-(3,5-dibromophenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine (PubChem CID 130262354) has the molecular formula C27H17Br2N3 and a molecular weight of 543.26 g/mol. Its IUPAC name is 4-(3,5-dibromophenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(3,5-dibromophenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
PubChem CID130262354
Molecular FormulaC27H17Br2N3
Molecular Weight543.26 g/mol
Exact Mass540.98
IUPAC Name4-(3,5-dibromophenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
SMILESBrc1cc(Br)cc(-c2cc(-c3cccc(-c4cccnc4)c3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C27H17Br2N3/c28-23-13-22(14-24(29)15-23)26-16-25(31-27(32-26)18-6-2-1-3-7-18)20-9-4-8-19(12-20)21-10-5-11-30-17-21/h1-17H
InChIKeyLUIADIQDYROWMK-UHFFFAOYSA-N
XLogP8.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.26
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3,5-dibromophenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dibromophenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-(3,5-dibromophenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine (CID 130262354) is 4-(3,5-dibromophenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-(3,5-dibromophenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-(3,5-dibromophenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine is Brc1cc(Br)cc(-c2cc(-c3cccc(-c4cccnc4)c3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-(3,5-dibromophenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is LUIADIQDYROWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17Br2N3/c28-23-13-22(14-24(29)15-23)26-16-25(31-27(32-26)18-6-2-1-3-7-18)20-9-4-8-19(12-20)21-10-5-11-30-17-21/h1-17H.
What are the key properties of 4-(3,5-dibromophenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
4-(3,5-dibromophenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 543.26 g/mol, XLogP of 8.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dibromophenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 130262354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).