4,6-bis(6-bromo-2-pyridinyl)-2-phenylpyrimidine

C20H12Br2N4 — CID 15531052

IUPAC4,6-bis(6-bromo-2-pyridinyl)-2-phenylpyrimidine
SMILESBrc1cccc(-c2cc(-c3cccc(Br)n3)nc(-c3ccccc3)n2)n1
InChIInChI=1S/C20H12Br2N4/c21-18-10-4-8-14(23-18)16-12-17(15-9-5-11-19(22)24-15)26-20(25-16)13-6-2-1-3-7-13/h1-12H
InChIKeyIIZVGJJWVXAIPN-UHFFFAOYSA-N
MW468.15 g/mol
LogP5.79
Rot. Bonds3

About 4,6-bis(6-bromo-2-pyridinyl)-2-phenylpyrimidine

4,6-bis(6-bromo-2-pyridinyl)-2-phenylpyrimidine (PubChem CID 15531052) has the molecular formula C20H12Br2N4 and a molecular weight of 468.15 g/mol. Its IUPAC name is 4,6-bis(6-bromo-2-pyridinyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4,6-bis(6-bromo-2-pyridinyl)-2-phenylpyrimidine
PubChem CID15531052
Molecular FormulaC20H12Br2N4
Molecular Weight468.15 g/mol
Exact Mass465.94
IUPAC Name4,6-bis(6-bromo-2-pyridinyl)-2-phenylpyrimidine
SMILESBrc1cccc(-c2cc(-c3cccc(Br)n3)nc(-c3ccccc3)n2)n1
InChIInChI=1S/C20H12Br2N4/c21-18-10-4-8-14(23-18)16-12-17(15-9-5-11-19(22)24-15)26-20(25-16)13-6-2-1-3-7-13/h1-12H
InChIKeyIIZVGJJWVXAIPN-UHFFFAOYSA-N
XLogP5.79
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.15
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(6-bromo-2-pyridinyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 154704675
2-bromo-6-[3-(6-bromo-2-pyridinyl)phenyl]pyridine
CID 132991958
4,6-bis(3-bromophenyl)-2-phenylpyrimidine
CID 71270022
2-(6-bromo-2-pyridinyl)-6-phenyl-4-tetraphenylen-2-ylpyridine
CID 156554605
4-bromo-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 122657844
4-bromo-2,6-diphenylpyrimidine;ethane
CID 142370256
2-(4-bromophenyl)-4,6-bis(3-phenylphenyl)pyrimidine
CID 130452666
4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane
CID 142385026
4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 155757935
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(6-bromo-2-pyridinyl)-2-phenylpyrimidine?
The IUPAC name of 4,6-bis(6-bromo-2-pyridinyl)-2-phenylpyrimidine (CID 15531052) is 4,6-bis(6-bromo-2-pyridinyl)-2-phenylpyrimidine.
What is the SMILES notation for 4,6-bis(6-bromo-2-pyridinyl)-2-phenylpyrimidine?
The canonical SMILES for 4,6-bis(6-bromo-2-pyridinyl)-2-phenylpyrimidine is Brc1cccc(-c2cc(-c3cccc(Br)n3)nc(-c3ccccc3)n2)n1.
What is the InChIKey of 4,6-bis(6-bromo-2-pyridinyl)-2-phenylpyrimidine?
The InChIKey is IIZVGJJWVXAIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Br2N4/c21-18-10-4-8-14(23-18)16-12-17(15-9-5-11-19(22)24-15)26-20(25-16)13-6-2-1-3-7-13/h1-12H.
What are the key properties of 4,6-bis(6-bromo-2-pyridinyl)-2-phenylpyrimidine?
4,6-bis(6-bromo-2-pyridinyl)-2-phenylpyrimidine has a molecular weight of 468.15 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(6-bromo-2-pyridinyl)-2-phenylpyrimidine is sourced from PubChem (CID 15531052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).