2-Methoxy-4,6-dichloropyrimidine

C5H4Cl2N2OCAS 1074-40-4179.00 g/mol

Open in Covalent MOL file
ONNClCl
Aryl halideEther

Properties

Molecular formula
C5H4Cl2N2O
Molar mass
179.00 g/mol
Exact mass
177.9701 Da
logP
1.79Crippen estimate
Polar surface area
35.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1074-40-4
SMILES
COC1=NC(=CC(=N1)Cl)Cl
InChIKey
WDELVDLDINRUQF-UHFFFAOYSA-N
InChI
InChI=1S/C5H4Cl2N2O/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3

Weigh it out

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

Names and synonyms

1 names
  • 4,6-Dichloro-2-methoxypyrimidine

Work with 2-Methoxy-4,6-dichloropyrimidine

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-2,6-dimethoxypyrimidine6320-15-676 % similar 2-Chloro-4,6-dimethoxy-1,3,5-triazine3140-73-658 % similar 2,4-Dichloro-6-methoxy-1,3,5-triazine3638-04-858 % similar 4,6-Dichloro-2-ethoxypyrimidine40758-65-456 % similar 2,4,6-Trimethoxypyrimidine13106-85-952 % similar 4,6-Dichloro-2-methylpyrimidine1780-26-348 % similar 2,4,6-Trichloropyrimidine3764-01-048 % similar 2-Chloro-6-methoxypyridine17228-64-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dichloro-5-methoxypyrimidine19646-07-2 4,6-Dichloro-5-methoxypyrimidine5018-38-2 3,6-Dichloro-4-methoxypyridazine70952-62-4 4,5-Dichloro-2-methyl-3(2H)-pyridazinone933-76-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook