4,6-Dichloro-5-methoxypyrimidine

C5H4Cl2N2OCAS 5018-38-2179.00 g/mol

Open in Covalent MOL file
OClNNCl
Aryl halideEther

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 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

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 4-Chloro-6,7-dimethoxyquinazoline13790-39-150 % similar 6-Chloro-5-methoxy-4-pyrimidinamine5018-41-750 % similar 4,6-Dichloro-5-methylpyrimidine4316-97-648 % similar 4-Chloro-7-methoxyquinazoline55496-52-147 % similar 4,5,6-Trichloropyrimidine1780-27-446 % similar 4-Chloro-6-methoxypyrimidine26452-81-343 % similar 4,6-Dichloro-5-iodopyrimidine1137576-38-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methoxy-4,6-dichloropyrimidine1074-40-4 2,4-Dichloro-5-methoxypyrimidine19646-07-2 3,6-Dichloro-4-methoxypyridazine70952-62-4 4,5-Dichloro-2-methyl-3(2H)-pyridazinone933-76-6

Elsewhere

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