2-[4-(N,N-Dimethylamino)-piperidino]-8-[N-benzyl-N-(3-benzoylaminopropyl)-amino]-4-morpholino-pyrimido[5,4-d]-pyrimidine
Basic information
- Standard SMILES
CN(C)C1CCN(c2nc(N3CCOCC3)c3ncnc(N(CCCNC(=O)c4ccccc4)Cc4ccccc4)c3n2)CC1- InChIKey
VWDISFJSMDADJI-UHFFFAOYSA-N- Molecular formula
- C34H43N9O2
- Average molar mass
- 609.8 g/mol
Names & identifiers
- Preferred name
- 2-[4-(N,N-Dimethylamino)-piperidino]-8-[N-benzyl-N-(3-benzoylaminopropyl)-amino]-4-morpholino-pyrimido[5,4-d]-pyrimidine
- IUPAC
- N-[3-[benzyl-[2-[4-(dimethylamino)piperidin-1-yl]-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-yl]amino]propyl]benzamide
Names & synonyms
SCHEMBL8851376VWDISFJSMDADJI-UHFFFAOYSA-N2-[4-(N,N-Dimethylamino)-piperidino]-8-[N-benzyl-N-(3-benzoylaminopropyl)-amino]-4-morpholino-pyrimido[5,4-d]-pyrimidine
Database identifiers
- PubChem CID
- 19961981
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 885
Related reactions
1 records
Compound notes
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