Basic information
- Standard SMILES
CCOC(=O)C(Cc1cnc(Nc2ccccc2)nc1Nc1ccccc1)c1cccnc1- InChIKey
REOYUZPGHQSTQM-UHFFFAOYSA-N- Molecular formula
- C26H25N5O2
- Average molar mass
- 439.5 g/mol
Names & identifiers
- Preferred name
- 3-(2,4-Diphenylamino-pyrimidin-5-yl)-2-pyridin-3-yl-propionic acid ethyl ester
- IUPAC
- ethyl 3-(2,4-dianilinopyrimidin-5-yl)-2-pyridin-3-ylpropanoate
Names & synonyms
SCHEMBL4771780REOYUZPGHQSTQM-UHFFFAOYSA-N3-(2,4-diphenylamino-pyrimidin-5-yl)-2-pyridin-3-yl-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 21044307
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 579
Related reactions
3 records
Compound notes
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