4,6-Dichloro-2-methylpyrimidine

C₅H₄Cl₂N₂CAS 1780-26-3163.00 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₅H₄Cl₂N₂
Molar mass: 163.00 g/mol
Exact mass: 161.9752 Da
Melting point: 162–163 °C
logP: 2.09Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed81.1% of notifiers
H314 Causes severe skin burns and eye damage11.3% of notifiers
H317 May cause an allergic skin reaction81.1% of notifiers
H411 Toxic to aquatic life with long lasting effects81.1% of notifiers

Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P391, P405, P501

Identifiers

CAS number

1780-26-3

SMILES

Cc1nc(Cl)cc(Cl)n1

InChIKey

FIMUTBLUWQGTIJ-UHFFFAOYSA-N

InChI

InChI=1S/C5H4Cl2N2/c1-3-8-4(6)2-5(7)9-3/h2H,1H3

Weigh it out

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

Names and synonyms

3 names

Pyrimidine, 4,6-dichloro-2-methyl-
2-Methyl-4,6-dichloropyrimidine
NSC 35923

Work with 4,6-Dichloro-2-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

4-Chloro-2,6-dimethylpyrimidine4472-45-173 % similar 6-Chloro-2-methylpyrimidin-4-amine1749-68-467 % similar 2,4,6-Trichloropyrimidine3764-01-055 % similar 2,6-Dichloro-4-methylpyridine39621-00-655 % similar 4-Chloro-2-methylpyrimidine4994-86-952 % similar 2-Amino-4-chloro-6-methylpyrimidine5600-21-550 % similar 2-Methoxy-4,6-dichloropyrimidine1074-40-448 % similar 2,4-Dichloro-6-methylpyrimidine5424-21-548 % similar

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

Same formula

4,6-Dichloro-2-pyridinamine116632-24-7 2,4-Dichloropyridin-3-amine173772-63-9 2,4-Dichloro-5-methylpyrimidine1780-31-0 2-Amino-4,5-dichloropyridine188577-68-6 3,6-Dichloro-4-methylpyridazine19064-64-3 4-Amino-3,5-dichloropyridine22889-78-7 4-Amino-2,6-dichloropyridine2587-02-2 2-Amino-3,5-dichloropyridine4214-74-8

Elsewhere

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