4,6-Dichloro-5-methoxypyrimidine

C₅H₄Cl₂N₂OCAS 5018-38-2179.00 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₅H₄Cl₂N₂O
Molar mass: 179.00 g/mol
Exact mass: 177.9701 Da
Melting point: 57–58 °C
logP: 1.79Crippen estimate
Polar surface area: 35.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

5018-38-2

SMILES

COc1c(Cl)ncnc1Cl

InChIKey

IJQIGKLDBGKSNT-UHFFFAOYSA-N

InChI

InChI=1S/C5H4Cl2N2O/c1-10-3-4(6)8-2-9-5(3)7/h2H,1H3

Weigh it out

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

Names and synonyms

2 names

Pyrimidine, 4,6-dichloro-5-methoxy-
NSC 252184

Work with 4,6-Dichloro-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-Chloro-5-methoxypyrimidine695-85-252 % similar 6-Chloro-5-methoxy-4-pyrimidinamine5018-41-750 % similar 4,5,6-Trichloropyrimidine1780-27-446 % similar 4-Chloro-6-methoxypyrimidine26452-81-343 % similar 4,6-Dichloro-5-iodopyrimidine1137576-38-542 % similar 4,6-Dichloro-5-fluoropyrimidine213265-83-942 % similar 5-Amino-4,6-dichloropyrimidine5413-85-442 % similar 5-Bromo-4,6-dichloropyrimidine68797-61-542 % similar

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

Same formula

2-Methoxy-4,6-dichloropyrimidine1074-40-4 4,5-Dichloro-2-methyl-3(2H)-pyridazinone933-76-6

Elsewhere

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