2-Chloro-4-methoxypyrimidine

C5H5ClN2OCAS 22536-63-6144.56 g/mol

Open in Covalent MOL file
ONClN
Aryl halideEther

Properties

Molecular formula
C5H5ClN2O
Molar mass
144.56 g/mol
Exact mass
144.0090 Da
Melting point
55 °C
Boiling point
96–97 °C (at 18 Torr)
logP
1.14Crippen estimate
Polar surface area
35.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 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
22536-63-6
SMILES
COc1ccnc(Cl)n1
InChIKey
BDXYNMVQMBCTDB-UHFFFAOYSA-N
InChI
InChI=1S/C5H5ClN2O/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3

Weigh it out

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

Names and synonyms

1 names
  • Pyrimidine, 2-chloro-4-methoxy-

Work with 2-Chloro-4-methoxypyrimidine

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-Dimethoxypyrimidine3551-55-161 % similar 2-Chloro-4,6-dimethoxypyrimidine13223-25-156 % similar 2,6-Dimethoxypyridine6231-18-154 % similar 4-Chloro-2-methoxypyridine72141-44-752 % similar 2-Chloro-6-methoxypyridine17228-64-750 % similar 2-Chloro-4-methylpyrimidine13036-57-248 % similar 2,4-Dichloropyrimidine3934-20-146 % similar Methyl 2-chloropyrimidine-4-carboxylate149849-94-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-5-methoxypyridazine123696-02-6 3-Chloro-6-methoxypyridazine1722-10-7 4-Chloro-1-methyl-1H-pyrazole-3-carbaldehyde175204-81-6 6-Chloro-4-methyl-2H-pyridazin-3-one1834-27-1 2-Chloro-5-methoxypyrimidine22536-65-8 4-Chloro-6-methoxypyrimidine26452-81-3 2-Chloro-6-methoxypyrazine33332-30-8 2-Amino-3-hydroxy-5-chloropyridine40966-87-8

Elsewhere

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