4-(3-bromophenyl)-2-pyridin-3-yl-6-(4-pyridin-3-ylphenyl)pyrimidine

C52H34Br2N8 — CID 157087252

IUPAC4-(3-bromophenyl)-2-pyridin-3-yl-6-(4-pyridin-3-ylphenyl)pyrimidine
SMILESBrc1cccc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3cccnc3)n2)c1.Brc1cccc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3cccnc3)n2)c1
InChIInChI=1S/2C26H17BrN4/c2*27-23-7-1-4-20(14-23)25-15-24(30-26(31-25)22-6-3-13-29-17-22)19-10-8-18(9-11-19)21-5-2-12-28-16-21/h2*1-17H
InChIKeyAEFSURHCGWZIKS-UHFFFAOYSA-N
MW930.71 g/mol
LogP13.39
Rot. Bonds8

About 4-(3-bromophenyl)-2-pyridin-3-yl-6-(4-pyridin-3-ylphenyl)pyrimidine

4-(3-bromophenyl)-2-pyridin-3-yl-6-(4-pyridin-3-ylphenyl)pyrimidine (PubChem CID 157087252) has the molecular formula C52H34Br2N8 and a molecular weight of 930.71 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-pyridin-3-yl-6-(4-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-pyridin-3-yl-6-(4-pyridin-3-ylphenyl)pyrimidine
PubChem CID157087252
Molecular FormulaC52H34Br2N8
Molecular Weight930.71 g/mol
Exact Mass928.13
IUPAC Name4-(3-bromophenyl)-2-pyridin-3-yl-6-(4-pyridin-3-ylphenyl)pyrimidine
SMILESBrc1cccc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3cccnc3)n2)c1.Brc1cccc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3cccnc3)n2)c1
InChIInChI=1S/2C26H17BrN4/c2*27-23-7-1-4-20(14-23)25-15-24(30-26(31-25)22-6-3-13-29-17-22)19-10-8-18(9-11-19)21-5-2-12-28-16-21/h2*1-17H
InChIKeyAEFSURHCGWZIKS-UHFFFAOYSA-N
XLogP13.39
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.71
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-(3-Bromo-phenyl)-7-(6-dimethylamino-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10895093
5-(3-Bromo-phenyl)-7-(6-dimethylamino-pyridin-3-yl)-6-pentyl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11306409
5-(3-Bromo-phenyl)-6-cyclohexyl-7-(6-dimethylamino-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11752435
5-(3-Bromo-phenyl)-7-(6-pyrrolidin-1-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44305396
5-(3-Bromo-phenyl)-7-[6-(methyl-pyridin-3-ylmethyl-amino)-pyridin-3-yl]-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44305631
5-(3-Bromo-phenyl)-7-(6-thiomorpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44305632
B3PyMPM
CID 58556437
4,6-Bis(3,5-di(pyridin-4-yl)phenyl)-2-methylpyrimidine
CID 67967165
4,6-Bis(3,5-di(pyridin-4-yl)phenyl)-2-phenylpyrimidine
CID 89441393
2-Phenyl-4,6-bis(3,5-dipyridylphenyl)pyrimidine
CID 101791711
4,6-Bis(3,5-di(pyridin-3-yl)phenyl)-2-(pyridin-3-yl)pyrimidine
CID 102345540
2,4,6-Tris(3'-(pyridin-2yl)biphenyl-3-yl)-1,3,5-triazine
CID 129849643

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-pyridin-3-yl-6-(4-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-(3-bromophenyl)-2-pyridin-3-yl-6-(4-pyridin-3-ylphenyl)pyrimidine (CID 157087252) is 4-(3-bromophenyl)-2-pyridin-3-yl-6-(4-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-(3-bromophenyl)-2-pyridin-3-yl-6-(4-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-(3-bromophenyl)-2-pyridin-3-yl-6-(4-pyridin-3-ylphenyl)pyrimidine is Brc1cccc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3cccnc3)n2)c1.Brc1cccc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3cccnc3)n2)c1.
What is the InChIKey of 4-(3-bromophenyl)-2-pyridin-3-yl-6-(4-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is AEFSURHCGWZIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H17BrN4/c2*27-23-7-1-4-20(14-23)25-15-24(30-26(31-25)22-6-3-13-29-17-22)19-10-8-18(9-11-19)21-5-2-12-28-16-21/h2*1-17H.
What are the key properties of 4-(3-bromophenyl)-2-pyridin-3-yl-6-(4-pyridin-3-ylphenyl)pyrimidine?
4-(3-bromophenyl)-2-pyridin-3-yl-6-(4-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 930.71 g/mol, XLogP of 13.39, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-pyridin-3-yl-6-(4-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 157087252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).