4-bromo-2,6-diphenylpyrimidine

C16H11BrN2 — CID 817533

IUPAC4-bromo-2,6-diphenylpyrimidine
SMILESBrc1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H11BrN2/c17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-11H
InChIKeyIJXDLFJKGQNBEJ-UHFFFAOYSA-N
MW311.18 g/mol
LogP4.57
Rot. Bonds2

About 4-bromo-2,6-diphenylpyrimidine

4-bromo-2,6-diphenylpyrimidine (PubChem CID 817533) has the molecular formula C16H11BrN2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 4-bromo-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-bromo-2,6-diphenylpyrimidine
PubChem CID817533
Molecular FormulaC16H11BrN2
Molecular Weight311.18 g/mol
Exact Mass310.01
IUPAC Name4-bromo-2,6-diphenylpyrimidine
SMILESBrc1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H11BrN2/c17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-11H
InChIKeyIJXDLFJKGQNBEJ-UHFFFAOYSA-N
XLogP4.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-diphenylpyrimidine?
The IUPAC name of 4-bromo-2,6-diphenylpyrimidine (CID 817533) is 4-bromo-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-bromo-2,6-diphenylpyrimidine?
The canonical SMILES for 4-bromo-2,6-diphenylpyrimidine is Brc1cc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-bromo-2,6-diphenylpyrimidine?
The InChIKey is IJXDLFJKGQNBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2/c17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 4-bromo-2,6-diphenylpyrimidine?
4-bromo-2,6-diphenylpyrimidine has a molecular weight of 311.18 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-diphenylpyrimidine is sourced from PubChem (CID 817533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).