2-Chloro-4,6-dimethylpyrimidine

C₆H₇ClN₂CAS 4472-44-0142.59 g/mol

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Aryl halide

Properties

Molecular formula: C₆H₇ClN₂
Molar mass: 142.59 g/mol
Exact mass: 142.0298 Da
Melting point: 38 °C
Boiling point: 100–102.5 °C (at 13 Torr)
logP: 1.75Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed82.7% of notifiers
H315 Causes skin irritation17.3% of notifiers
H319 Causes serious eye irritation17.3% of notifiers
H335 May cause respiratory irritation15.4% of notifiers

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4472-44-0

SMILES

Cc1cc(C)nc(Cl)n1

InChIKey

RZVPFDOTMFYQHR-UHFFFAOYSA-N

InChI

InChI=1S/C6H7ClN2/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3

Weigh it out

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

Names and synonyms

3 names

Pyrimidine, 2-chloro-4,6-dimethyl-
4,6-Dimethyl-2-chloropyrimidine
NSC 49016

Work with 2-Chloro-4,6-dimethylpyrimidine

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

2,4-Dichloro-6-methylpyrimidine5424-21-571 % similar 2-Chloro-4-methyl-6-(methylsulfanyl)pyrimidine89466-59-160 % similar 4-Chloro-2,6-dimethylpyridine3512-75-257 % similar 2-Hydroxy-4,6-dimethylpyrimidine108-79-250 % similar 2-Chloro-4-methylpyrimidine13036-57-250 % similar 4,6-Dimethyl-2-mercaptopyrimidine22325-27-550 % similar 2-Chloro-4,6-dimethylpyridine30838-93-848 % similar 2,4-Dichloro-6-methylpyridine42779-56-648 % similar

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

Same formula

(4-Chlorophenyl)hydrazine1073-69-4 2-Chloro-5-ethylpyrimidine111196-81-7 3-Amino-2-chloro-4-methylpyridine133627-45-9 (2-Chloropyridin-4-yl)methanamine144900-57-2 3-Amino-6-chloro-2-picoline164666-68-6 (4-Chloropyridin-2-yl)methanamine180748-30-5 (2-Chloropyridin-3-yl)methanamine205744-14-5 2-Amino-5-chloro-3-methylpyridine20712-16-7

Elsewhere

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