2-(Chloromethyl)-4,6-dimethoxypyrimidine

C7H9ClN2O2CAS 114108-86-0188.61 g/mol

Open in Covalent MOL file
OONClN
Alkyl halideEther

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 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
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 4,6-Dimethoxy-2-methylpyrimidine13566-48-850 % similar 4,6-Dimethoxy-2-methylthiopyrimidine90905-46-745 % similar 4,6-Dimethoxypyrimidine5270-94-043 % similar 4-Chloro-2,6-dimethoxypyrimidine6320-15-642 % similar 3,5-Dimethoxybenzyl chloride6652-32-042 % similar 4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine113583-35-041 % 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 (2-Nitrophenyl)methanamine hydrochloride24835-08-3 3-Nitrobenzylamine monohydrochloride26177-43-5 2-Carboxyphenylhydrazine hydrochloride52356-01-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook