chempirical

4-Chloro-2,6-dimethoxypyrimidine

C6H7ClN2O2CAS 6320-15-6174.58 g/mol

Open in Covalent MOL file
OClNON
Aryl halideEther

Properties

Molecular formula
C6H7ClN2O2
Molar mass
174.58 g/mol
Exact mass
174.0196 Da
Melting point
160–165 °C (decomposes)
logP
1.15Crippen estimate
Polar surface area
44.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
6320-15-6
SMILES
COc1cc(Cl)nc(OC)n1
InChIKey
JHNRTJRDRWKAIW-UHFFFAOYSA-N
InChI
InChI=1S/C6H7ClN2O2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3

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Names and synonyms

5 names
  • Pyrimidine, 4-chloro-2,6-dimethoxy-
  • 6-Chloro-2,4-dimethoxypyrimidine
  • 2,4-Dimethoxy-6-chloropyrimidine
  • NSC 31796
  • 2,6-Dimethoxypyrimidin-4-yl chloride

Work with 4-Chloro-2,6-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-Methoxy-4,6-dichloropyrimidine1074-40-476 % similar 2,4,6-Trimethoxypyrimidine13106-85-968 % similar 2,6-Dimethoxy-4-pyrimidinamine3289-50-755 % similar 4-Chloro-6-methoxypyrimidine26452-81-352 % similar 2-Chloro-4,6-dimethoxy-1,3,5-triazine3140-73-650 % similar 2,4-Dichloro-6-methoxy-1,3,5-triazine3638-04-850 % similar 2-Chloro-6-methoxyisonicotinoyl chloride116853-97-549 % similar 2-Chloro-6-methoxypyridine17228-64-748 % similar

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

Same formula

4-Aminopyridine-2-carboxylic acid hydrochloride1291487-29-0 2-Chloro-4,6-dimethoxypyrimidine13223-25-1 6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione6972-27-6

Elsewhere

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