9-(2-Chloro-6-fluorobenzyl)-6-methylaminopurine

HCID 129801

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

Related reactions

4 records

Compound notes

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