chempirical

Arprinocid

C12H9ClFN5CAS 55779-18-5277.69 g/mol

Open in Covalent MOL file
H2NNNNNFCl
Aryl halidePrimary amine

Properties

Molecular formula
C12H9ClFN5
Molar mass
277.69 g/mol
Exact mass
277.0531 Da
Density
1.57 g/mL
Melting point
245–246 °C
logP
2.25Crippen estimate
Polar surface area
69.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
55779-18-5
SMILES
Nc1ncnc2c1ncn2Cc1c(F)cccc1Cl
InChIKey
NAPNOSFRRMHNBJ-UHFFFAOYSA-N
InChI
InChI=1S/C12H9ClFN5/c13-8-2-1-3-9(14)7(8)4-19-6-18-10-11(15)16-5-17-12(10)19/h1-3,5-6H,4H2,(H2,15,16,17)

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Names and synonyms

5 names
  • 9H-Purin-6-amine, 9-[(2-chloro-6-fluorophenyl)methyl]-
  • 9-[(2-Chloro-6-fluorophenyl)methyl]-9H-purin-6-amine
  • 6-Amino-9-(2-chloro-6-fluorobenzyl)purine
  • MK 302
  • Arpocox

Work with Arprinocid

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

9-(2-Hydroxyethyl)adenine707-99-346 % similar (αS)-6-Amino-α-methyl-9H-purine-9-ethanol14047-27-943 % similar (αR)-6-Amino-α-methyl-9H-purine-9-ethanol14047-28-043 % similar 2-Chloro-6-fluorobenzenemethanamine15205-15-940 % similar Adefovir106941-25-740 % similar Ic 87114371242-69-240 % similar 9-Methyladenine700-00-539 % similar 2-Chloro-6-fluorobenzyl chloride55117-15-238 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook