4,5-Dichloro-6-ethylpyrimidine

C6H6Cl2N2CAS 115617-41-9177.03 g/mol

Open in Covalent MOL file
NNClCl
Aryl halide

Properties

Molecular formula
C6H6Cl2N2
Molar mass
177.03 g/mol
Exact mass
175.9908 Da
logP
2.35Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
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
115617-41-9
SMILES
CCC1=C(C(=NC=N1)Cl)Cl
InChIKey
RPVZESOQOOPTGU-UHFFFAOYSA-N
InChI
InChI=1S/C6H6Cl2N2/c1-2-4-5(7)6(8)10-3-9-4/h3H,2H2,1H3

Weigh it out

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

Work with 4,5-Dichloro-6-ethylpyrimidine

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-6-ethyl-5-fluoropyrimidine137234-74-361 % similar 4,5,6-Trichloropyrimidine1780-27-456 % similar 5,6-Dichloropyrimidin-4-amine310400-38-545 % similar 4,6-Dichloro-5-methylpyrimidine4316-97-641 % similar 2,3-Diethylpyrazine15707-24-139 % similar 6-Ethyl-5-fluoro-4(3H)-pyrimidinone137234-87-839 % similar 4,6-Dichloro-5-methoxypyrimidine5018-38-238 % similar 4-Ethyl-5-fluoropyrimidine137234-88-937 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dichlorophenylhydrazine13123-92-7 2,5-Dichloro-1,4-benzenediamine20103-09-7 2-Amino-3,5-dichloro-6-methylpyridine22137-52-6 (2,5-Dichlorophenyl)hydrazine305-15-7 3,5-Dichloro-4-methylpyridin-2-amine31430-47-4 3,6-Dichloro-4,5-dimethylpyridazine34584-69-5 3,5-Dichlorophenylhydrazine39943-56-1 4,5-Dichloro-1,2-phenylenediamine5348-42-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook