Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC(Nc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2N)C1- InChIKey
RQULPNVVXLSHRE-UHFFFAOYSA-N- Molecular formula
- C26H32N6O2
- Average molar mass
- 460.6 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 3-((5-amino-6-(dibenzylamino)pyrimidin-4-YL)amino)azetidine-1-carboxylate
- IUPAC
- tert-butyl 3-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]azetidine-1-carboxylate
Names & synonyms
SCHEMBL14798056SCHEMBL31626228TERT-BUTYL 3-((5-AMINO-6-(DIBENZYLAMINO)PYRIMIDIN-4-YL)AMINO)AZETIDINE-1-CARBOXYLATE1351636-68-4C92609
Database identifiers
- PubChem CID
- 89455167
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 618
Related reactions
1 records
Compound notes
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