Basic information
- CAS
70091-23-5- Standard SMILES
CN(C)c1ncnc2c1ncn2Cc1c(F)cccc1Cl- InChIKey
ZRTHYLLRNKJAEG-UHFFFAOYSA-N- Molecular formula
- C14H13ClFN5
- Average molar mass
- 305.74 g/mol
- Monoisotopic mass
- 305.0843513
Names & identifiers
- Preferred name
- 9-(2-Chloro-6-fluorobenzyl)-6-dimethylaminopurine
- IUPAC
- 9-[(2-chloro-6-fluorophenyl)methyl]-N,N-dimethylpurin-6-amine
- English name
- 9-(2-chloro-6-fluorobenzyl)-6-dimethylaminopurine
- Molecular weight
- 0
Names & synonyms
70091-23-59-(2-Chloro-6-fluorobenzyl)-6-dimethylaminopurineVM-6736DTXSID00220367RefChem:107626DTXCID001428589-(2-Chloro-6-fluorobenzyl)-N,N-dimethyl-9H-purin-6-amine9-[(2-chloro-6-fluorophenyl)methyl]-N,N-dimethyl-9H-purin-6-amineVM 6736CHEMBL269381SCHEMBL11151054ZRTHYLLRNKJAEG-UHFFFAOYSA-N
Show more names
9-[(2-chloro-6-fluorophenyl)methyl]-N,N-dimethylpurin-6-amine9-(2-chloro-6-fluorobenzyl)-N6, N6 -dimethyladenine9H-Purin-6-amine, 9-((2-chloro-6-fluorophenyl)methyl)-N,N-dimethyl-
Database identifiers
- CAS
70091-23-5- PubChem CID
- 129802
- DTXSID
DTXSID00220367- ChEMBL
CHEMBL269381
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 358
Related reactions
4 records
Compound notes
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