4-Chloro-6-methoxypyrimidine

C₅H₅ClN₂OCAS 26452-81-3144.56 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₅H₅ClN₂O
Molar mass: 144.56 g/mol
Exact mass: 144.0090 Da
Melting point: 34.5–35 °C
Boiling point: 80 °C (at 18 Torr)
logP: 1.14Crippen estimate
Polar surface area: 35.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

26452-81-3

SMILES

COc1cc(Cl)ncn1

InChIKey

KLJGSQVYUGQOAW-UHFFFAOYSA-N

InChI

InChI=1S/C5H5ClN2O/c1-9-5-2-4(6)7-3-8-5/h2-3H,1H3

Weigh it out

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

Names and synonyms

1 names

Pyrimidine, 4-chloro-6-methoxy-

Work with 4-Chloro-6-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

4,6-Dichloropyrimidine1193-21-154 % similar 6-Methoxy-4-pyrimidinamine696-45-753 % similar 4-Chloro-2,6-dimethoxypyrimidine6320-15-652 % similar 4-Chloro-6-methylpyrimidine3435-25-448 % similar 2-Chloro-4-methoxypyridine17228-69-247 % similar 2-Chloro-6-methoxypyridine17228-64-745 % similar 2-Chloro-4,6-dimethoxypyrimidine13223-25-145 % similar 2-Methoxy-4,6-dichloropyrimidine1074-40-443 % 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-carboxaldehyde175204-81-6 2-Chloro-4-methoxypyrimidine22536-63-6 2-Chloro-5-methoxypyrimidine22536-65-8 2-Chloro-6-methoxypyrazine33332-30-8 4-Chloro-5-methoxypyrimidine695-85-2

Elsewhere

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