2,6-Dichloro-7-methyl-7H-purine

C6H4Cl2N4CAS 2273-93-0203.03 g/mol

Open in Covalent MOL file
NNNClNCl
Aryl halide

Properties

Molecular formula
C6H4Cl2N4
Molar mass
203.03 g/mol
Exact mass
201.9813 Da
Melting point
195.5–196 °C
logP
1.67Crippen estimate
Polar surface area
43.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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
2273-93-0
SMILES
Cn1cnc2nc(Cl)nc(Cl)c21
InChIKey
HVMUWHZAZGTMJK-UHFFFAOYSA-N
InChI
InChI=1S/C6H4Cl2N4/c1-12-2-9-5-3(12)4(7)10-6(8)11-5/h2H,1H3

Weigh it out

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

Names and synonyms

5 names
  • 7H-Purine, 2,6-dichloro-7-methyl-
  • Purine, 2,6-dichloro-7-methyl-
  • 2,6-Dichloro-7-methylpurine
  • NSC 7853
  • 5,7-Dichloro-1-methyl-1H-imidazo[4,5-d]pyrimidine

Work with 2,6-Dichloro-7-methyl-7H-purine

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

Paraxanthine611-59-648 % similar 7-Methylxanthine552-62-545 % similar 6-Chloro-9-methylpurine2346-74-939 % similar 7-Methyladenine935-69-339 % similar 2,4,6-Trichloro-5-methylpyrimidine1780-36-538 % similar 2,4-Dichloro-pyrido[2,3-d]pyrimidine126728-20-937 % similar 2,4,5,6-Tetrachloropyrimidine1780-40-135 % similar 2,4,6,8-Tetrachloropyrimido[5,4-d]pyrimidine32980-71-535 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dichloro-9-methyl-9H-purine2382-10-7 4,6-Dichloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine98141-42-5

Elsewhere

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