5-bromo-2-(4-phenylphenyl)pyrimidine

C16H11BrN2 — CID 134952863

IUPAC5-bromo-2-(4-phenylphenyl)pyrimidine
SMILESBrc1cnc(-c2ccc(-c3ccccc3)cc2)nc1
InChIInChI=1S/C16H11BrN2/c17-15-10-18-16(19-11-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H
InChIKeyRRCJWACMUFVDDJ-UHFFFAOYSA-N
MW311.18 g/mol
LogP4.57
Rot. Bonds2

About 5-bromo-2-(4-phenylphenyl)pyrimidine

5-bromo-2-(4-phenylphenyl)pyrimidine (PubChem CID 134952863) has the molecular formula C16H11BrN2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 5-bromo-2-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(4-phenylphenyl)pyrimidine
PubChem CID134952863
Molecular FormulaC16H11BrN2
Molecular Weight311.18 g/mol
Exact Mass310.01
IUPAC Name5-bromo-2-(4-phenylphenyl)pyrimidine
SMILESBrc1cnc(-c2ccc(-c3ccccc3)cc2)nc1
InChIInChI=1S/C16H11BrN2/c17-15-10-18-16(19-11-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H
InChIKeyRRCJWACMUFVDDJ-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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Related Compounds

5-Phenyl-2,4-pyrimidinediamine
CID 134761
4-(4-Phenylphenyl)pyrimidine
CID 817541
4-[2-(4-Carbamimidoylphenyl)pyrimidin-5-yl]benzenecarboximidamide
CID 11849619
5-[4-(2-Carbamimidoylpyrimidin-5-yl)phenyl]pyrimidine-2-carboximidamide
CID 24752324
5-[4-(4-Carbamimidoylphenyl)phenyl]pyrimidine-2-carboximidamide
CID 24752326
2,4-Diamino-5-benzylpyrimidine
CID 81752
5-(4-Bromophenyl)pyrimidine-2,4-diamine
CID 504037
2,5-Diphenylpyrimidine
CID 755305
2,5-Bis(4-aminophenyl)-pyrimidine
CID 652390
4-Pyrimidin-2-ylbenzylamine
CID 24229559
5-Phenylpyrimidin-4-amine
CID 233337
2-Phenylpyrimidine
CID 593578

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-phenylphenyl)pyrimidine?
The IUPAC name of 5-bromo-2-(4-phenylphenyl)pyrimidine (CID 134952863) is 5-bromo-2-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 5-bromo-2-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 5-bromo-2-(4-phenylphenyl)pyrimidine is Brc1cnc(-c2ccc(-c3ccccc3)cc2)nc1.
What is the InChIKey of 5-bromo-2-(4-phenylphenyl)pyrimidine?
The InChIKey is RRCJWACMUFVDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2/c17-15-10-18-16(19-11-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 5-bromo-2-(4-phenylphenyl)pyrimidine?
5-bromo-2-(4-phenylphenyl)pyrimidine 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 5-bromo-2-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 134952863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).