2-(Chloromethyl)-4,6-dimethoxypyrimidine

C₇H₉ClN₂O₂CAS 114108-86-0188.61 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₇H₉ClN₂O₂
Molar mass: 188.61 g/mol
Exact mass: 188.0353 Da
Melting point: 40–42 °C
logP: 1.23Crippen estimate
Polar surface area: 44.2 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Identifiers

CAS number

114108-86-0

SMILES

COc1cc(OC)nc(CCl)n1

InChIKey

BWCCPOQIMGGGQX-UHFFFAOYSA-N

InChI

InChI=1S/C7H9ClN2O2/c1-11-6-3-7(12-2)10-5(4-8)9-6/h3H,4H2,1-2H3

Weigh it out

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

Names and synonyms

1 names

Pyrimidine, 2-(chloromethyl)-4,6-dimethoxy-

Work with 2-(Chloromethyl)-4,6-dimethoxypyrimidine

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-Chloro-4,6-dimethoxypyrimidine13223-25-156 % similar 2,4,6-Trimethoxypyrimidine13106-85-952 % similar 4-Chloro-2,6-dimethoxypyrimidine6320-15-642 % similar 4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine113583-35-041 % similar 3,4,5-Trimethoxybenzyl chloride3840-30-039 % similar 3-(Chloromethyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole175205-61-539 % similar 2,6-Dimethoxy-4-pyrimidinamine3289-50-738 % similar Veratryl chloride7306-46-938 % similar

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

Same formula

4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid127892-62-0 p-Nitrobenzylamine hydrochloride18600-42-5 p-Hydrazinobenzoic acid hydrochloride24589-77-3 3-Nitrobenzylamine monohydrochloride26177-43-5 2-Carboxyphenylhydrazine hydrochloride52356-01-1

Elsewhere

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