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6-Amino-2-chloro-9-(4-fluorobenzyl)purine

HCID 11514636
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1nc(Cl)nc2c1ncn2Cc1ccc(F)cc1
InChIKey
ASEWQFWBCWERBZ-UHFFFAOYSA-N
Molecular formula
C12H9ClFN5
Average molar mass
277.68 g/mol

Names & identifiers

Preferred name
6-Amino-2-chloro-9-(4-fluorobenzyl)purine
IUPAC
2-chloro-9-[(4-fluorophenyl)methyl]purin-6-amine

Names & synonyms

6-Amino-2-chloro-9-(4-fluorobenzyl)purineSCHEMBL7204689ASEWQFWBCWERBZ-UHFFFAOYSA-NAKOS015966192

Database identifiers

PubChem CID
11514636

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
69.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
19
Formal charge
0
Complexity
312

Related reactions

2 records
New reaction record
HRID 311835 reaction equation
HRID 311835As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 2269146 reaction equation
HRID 2269146As productuspto-grants-2001_12

Compound notes

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