4-Bromo-2,6-diphenylpyrimidine

C₁₆H₁₁BrN₂CAS 40734-24-5311.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₁BrN₂
Molar mass: 311.18 g/mol
Exact mass: 310.0106 Da
logP: 4.57Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

40734-24-5

SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)Br

InChIKey

IJXDLFJKGQNBEJ-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-Bromo-2,6-diphenylpyrimidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(4-Bromophenyl)-2,6-diphenylpyrimidine58536-46-263 % similar 4-(3,5-Dibromophenyl)-2,6-diphenylpyrimidine607740-08-961 % similar 4-(3-Bromophenyl)-2,6-diphenylpyrimidine864377-28-659 % similar 4-Chloro-2,6-diphenylpyrimidine29509-91-955 % similar 2-Bromo-6-phenylpyridine39774-26-053 % similar 2,4,6-Triphenyl-1,3,5-triazine493-77-652 % similar 2-(3,5-Dibromophenyl)-4,6-diphenyl-1,3,5-triazine1073062-59-552 % similar 4-(Biphenyl-4-yl)-6-chloro-2-phenylpyrimidine1689538-58-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Bromo-2,3-diphenylpyrazine243472-70-0 2-Bromo-4,6-diphenylpyrimidine56181-49-8

Elsewhere

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