Basic information
- Standard SMILES
CC(O)CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1- InChIKey
BRQQDVBCVLRFDJ-UHFFFAOYSA-N- Molecular formula
- C24H27N5O3
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.21138974
Names & identifiers
- Preferred name
- 3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide
- IUPAC
- 3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide
Names & synonyms
SCHEMBL4382274
Database identifiers
- PubChem CID
- 69023274
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 572
Related reactions
1 records
Compound notes
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