chempirical

4-Chloro-2,6-diphenylpyrimidine

C16H11ClN2CAS 29509-91-9266.73 g/mol

Open in Covalent MOL file
NNCl
Aryl halide

Properties

Molecular formula
C16H11ClN2
Molar mass
266.73 g/mol
Exact mass
266.0611 Da
logP
4.46Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
29509-91-9
SMILES
C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)Cl
InChIKey
MJDDVTZXYXHTRY-UHFFFAOYSA-N
InChI
InChI=1S/C16H11ClN2/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

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Work with 4-Chloro-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-(Biphenyl-4-yl)-6-chloro-2-phenylpyrimidine1689538-58-692 % similar Fenclorim3740-92-980 % similar 2,4-Dichloro-6-phenylpyrimidine26032-72-471 % similar 4-Chloro-2-phenylpyrimidine14790-42-255 % similar 4-Bromo-2,6-diphenylpyrimidine40734-24-555 % similar 4-(3-Bromophenyl)-2,6-diphenylpyrimidine864377-28-655 % similar 2,4-Dichloro-6-phenyl-1,3,5-triazine1700-02-354 % similar 2-Chloro-4,6-diphenyl-1,3,5-triazine3842-55-554 % similar

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

Same formula

2-Chloro-4,6-diphenylpyrimidine2915-16-4 5-Chloro-2,3-diphenylpyrazine41270-66-0

Elsewhere

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