([(4-{2-[(4-Morpholin-4-ylphenyl)amino]pyrimidin-4-yl}-phenyl)amino]carbonyl}pyrrolidine-1-carboxylate
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Basic information
- Standard SMILES
O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)C1CCCN1C(=O)[O-]- InChIKey
ILYFVMJJVIZXOW-UHFFFAOYSA-M- Molecular formula
- C26H27N6O4-
- Average molar mass
- 487.5 g/mol
Names & identifiers
- Preferred name
- ([(4-{2-[(4-Morpholin-4-ylphenyl)amino]pyrimidin-4-yl}-phenyl)amino]carbonyl}pyrrolidine-1-carboxylate
- IUPAC
- 2-[[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
Names & synonyms
ILYFVMJJVIZXOW-UHFFFAOYSA-M([(4-{2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}-phenyl)amino]carbonyl}pyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 86636634
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- -1
- Complexity
- 728
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Related reactions
1 records
Compound notes
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