4-Chloro-5-methoxypyrimidine

C₅H₅ClN₂OCAS 695-85-2144.56 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: 63–64 °C (sublimes)
logP: 1.14Crippen estimate
Polar surface area: 35.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

695-85-2

SMILES

COc1cncnc1Cl

InChIKey

CTMIYYREUVYVEL-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

Pyrimidine, 4-chloro-5-methoxy-

Work with 4-Chloro-5-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-Dichloro-5-methoxypyrimidine5018-38-252 % similar 2-Chloro-3-methoxypyridine52605-96-650 % similar 5-Bromo-4-chloropyrimidine56181-39-645 % similar 4-Chloro-7-methoxy-6-nitroquinazoline55496-69-040 % similar 2-Chloro-4-methoxy-3-pyridinecarbonitrile98645-43-338 % similar 2,4-Dichloro-6,7-dimethoxyquinazoline27631-29-437 % similar 6-Chloro-5-methoxy-4-pyrimidinamine5018-41-737 % similar 2-Chloro-5-methoxy-4-pyrimidinamine99979-77-837 % 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 4-Chloro-6-methoxypyrimidine26452-81-3 2-Chloro-6-methoxypyrazine33332-30-8

Elsewhere

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