Basic information
- Standard SMILES
CC(=O)N1CCN(c2nc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3n2CC2CC2)C[C@@H]1C- InChIKey
PXGSXSOVNNKEMW-HNNXBMFYSA-N- Molecular formula
- C24H32N10O2
- Average molar mass
- 492.6 g/mol
Names & identifiers
- Preferred name
- 5-{8-[(3S)-4-Acetyl-3-methylpiperazin-1-yl]-9-(cyclopropylmethyl)-6-morpholin-4-yl-9H-purin-2-yl}pyrimidin-2-amine
- IUPAC
- 1-[(2S)-4-[2-(2-aminopyrimidin-5-yl)-9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-8-yl]-2-methylpiperazin-1-yl]ethanone
Names & synonyms
SCHEMBL337449PXGSXSOVNNKEMW-HNNXBMFYSA-N5-{8-[(3S)-4-Acetyl-3-methylpiperazin-1-yl]-9-(cyclopropylmethyl)-6-morpholin-4-yl-9H-purin-2-yl}pyrimidin-2-amine
Database identifiers
- PubChem CID
- 59333603
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 772
Related reactions
2 records
Compound notes
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