Basic information
- Standard SMILES
CC(C)Cn1c(N2CCN(C(=O)CO)CC2)nc2c(N3CCOC[C@@H]3C)nc(-c3cnc(N)nc3)nc21- InChIKey
YZSBWJFWYBADBC-INIZCTEOSA-N- Molecular formula
- C24H34N10O3
- Average molar mass
- 510.6 g/mol
Names & identifiers
- Preferred name
- 2-(4-{2-(2-Aminopyrimidin-5-yl)-9-isobutyl-6-[(3S)-3-methylmorpholin-4-yl]-9H-purin-8-yl}piperazin-1-yl)-2-oxoethanol
- IUPAC
- 1-[4-[2-(2-aminopyrimidin-5-yl)-6-[(3S)-3-methylmorpholin-4-yl]-9-(2-methylpropyl)purin-8-yl]piperazin-1-yl]-2-hydroxyethanone
Names & synonyms
SCHEMBL336267YZSBWJFWYBADBC-INIZCTEOSA-N2-(4-{2-(2-Aminopyrimidin-5-yl)-9-isobutyl-6-[(3S)-3-methylmorpholin-4-yl]-9H-purin-8-yl}piperazin-1-yl)-2-oxoethanol
Database identifiers
- PubChem CID
- 59333571
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 761
Related reactions
2 records
Compound notes
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