2,4,6-Trichloro-5-methylpyrimidine

C5H3Cl3N2CAS 1780-36-5197.44 g/mol

Open in Covalent MOL file
NNClClCl
Aryl halide

Properties

Molecular formula
C5H3Cl3N2
Molar mass
197.44 g/mol
Exact mass
195.9362 Da
logP
2.75Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number
1780-36-5
SMILES
CC1=C(N=C(N=C1Cl)Cl)Cl
InChIKey
VTSWSQGDJQFXHB-UHFFFAOYSA-N
InChI
InChI=1S/C5H3Cl3N2/c1-2-3(6)9-5(8)10-4(2)7/h1H3

Weigh it out

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Work with 2,4,6-Trichloro-5-methylpyrimidine

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

3,6-Dichloro-4,5-dimethylpyridazine34584-69-555 % similar 4,6-Dichloro-5-methylpyrimidine4316-97-655 % similar 2,4,5,6-Tetrachloropyrimidine1780-40-152 % similar 2,4,6,8-Tetrachloropyrimido[5,4-d]pyrimidine32980-71-552 % similar 2,4-Dichloro-5-amino-6-methylpyrimidine13162-27-148 % similar 2,4-Dichloro-5-methylpyrimidine1780-31-046 % similar Cyanuric chloride108-77-044 % similar 2-Chloro-4,6-dimethylpyrimidine4472-44-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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