Basic information
- CAS
70091-21-3- Standard SMILES
CNc1ncnc2c1ncn2Cc1c(F)cccc1Cl- InChIKey
VAEPQHITLRNBPM-UHFFFAOYSA-N- Molecular formula
- C13H11ClFN5
- Average molar mass
- 291.71 g/mol
- Monoisotopic mass
- 291.0687012
Names & identifiers
- Preferred name
- 9-(2-Chloro-6-fluorobenzyl)-6-methylaminopurine
- IUPAC
- 9-[(2-chloro-6-fluorophenyl)methyl]-N-methylpurin-6-amine
- English name
- 9-(2-chloro-6-fluorobenzyl)-6-methylaminopurine
- Molecular weight
- 0
Names & synonyms
70091-21-39-(2-Chloro-6-fluorobenzyl)-6-methylaminopurineVM-6387DTXSID40220366RefChem:107627DTXCID401428579-(2-chloro-6-fluorobenzyl)-n-methyl-9h-purin-6-amine9-[(2-chloro-6-fluorophenyl)methyl]-N-methylpurin-6-amine9-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-9H-purin-6-amineVM 6387CHEMBL269046SCHEMBL10408838
Show more names
VAEPQHITLRNBPM-UHFFFAOYSA-N9H-Purin-6-amine, 9-((2-chloro-6-fluorophenyl)methyl)-N-methyl-
Database identifiers
- CAS
70091-21-3- PubChem CID
- 129801
- DTXSID
DTXSID40220366- ChEMBL
CHEMBL269046
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 334
Related reactions
4 records
Compound notes
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