Basic information
- Standard SMILES
CNc1ncnc2c1ncn2-c1ccc(NC(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)cc1- InChIKey
SCWSURJVNYGVEE-UHFFFAOYSA-N- Molecular formula
- C23H23F3N8O
- Average molar mass
- 484.5 g/mol
Names & identifiers
- Preferred name
- 1-(4-Dimethylaminomethyl-3-(trifluoromethyl)phenyl)-3-[4-(6-(methylamino)purin-9-yl)phenyl]urea
- IUPAC
- 1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)purin-9-yl]phenyl]urea
Names & synonyms
1-(4-Dimethylaminomethyl-3-(trifluoromethyl)phenyl)-3-[4-(6-(methylamino)purin-9-yl)phenyl]ureaSCHEMBL5111452
Database identifiers
- PubChem CID
- 23155035
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 703
Related reactions
1 records
Compound notes
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