Basic information
- Standard SMILES
Cc1ccnc(Cl)c1/C=C/n1cnc2c(Nc3ccc(P(C)(C)=O)cc3)ncnc21- InChIKey
BCNKCNJFQMAYHW-PKNBQFBNSA-N- Molecular formula
- C21H20ClN6OP
- Average molar mass
- 438.8 g/mol
Names & identifiers
- Preferred name
- (E)-9-(2-(2-Chloro-4-methylpyridin-3-yl)vinyl)-N-(4-(dimethylphosphoryl)phenyl)-9H-purin-6-amine
- IUPAC
- 9-[(E)-2-(2-chloro-4-methyl-3-pyridinyl)ethenyl]-N-(4-dimethylphosphorylphenyl)purin-6-amine
Names & synonyms
SCHEMBL4121994BCNKCNJFQMAYHW-PKNBQFBNSA-N(E)-9-(2-(2-Chloro-4-methylpyridin-3-yl)vinyl)-N-(4-(dimethylphosphoryl)phenyl)-9H-purin-6-amine
Database identifiers
- PubChem CID
- 86631258
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 651
Related reactions
2 records
Compound notes
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