4,6-Dichloro-2,5-diphenylpyrimidine

C16H10Cl2N2CAS 29133-99-1301.17 g/mol

Open in Covalent MOL file
NNClCl
Aryl halide

Properties

Molecular formula
C16H10Cl2N2
Molar mass
301.17 g/mol
Exact mass
300.0221 Da
logP
5.12Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
29133-99-1
SMILES
C1=CC=C(C=C1)C2=C(N=C(N=C2Cl)C3=CC=CC=C3)Cl
InChIKey
SYZDNTMHIDTVBR-UHFFFAOYSA-N
InChI
InChI=1S/C16H10Cl2N2/c17-14-13(11-7-3-1-4-8-11)15(18)20-16(19-14)12-9-5-2-6-10-12/h1-10H

Weigh it out

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Work with 4,6-Dichloro-2,5-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-Chloro-2-phenylquinazoline6484-25-960 % similar 2,4-Dichloro-6-phenyl-1,3,5-triazine1700-02-358 % similar 2-Chloro-4,6-diphenyl-1,3,5-triazine3842-55-558 % similar 2,4,6-Triphenyl-1,3,5-triazine493-77-657 % similar 2-(4-Biphenylyl)-4,6-dichloro-1,3,5-triazine10202-45-654 % similar 2-([1,1'-Biphenyl]-4-yl)-4-chloro-6-phenyl-1,3,5-triazine1472062-94-454 % similar 2,4-Bis([1,1'-biphenyl]-4-yl)-6-chloro-1,3,5-triazine182918-13-454 % similar Fenclorim3740-92-954 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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