Basic information
- Standard SMILES
CC(C)Cn1c(N2CCN(C(=O)CN(C)C)CC2)nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21- InChIKey
SJFRFQZIJCCSEM-UHFFFAOYSA-N- Molecular formula
- C25H37N11O2
- Average molar mass
- 523.6 g/mol
- Monoisotopic mass
- 523.31316947
Names & identifiers
- Preferred name
- 5-(8-{4-[(Dimethylamino)acetyl]piperazin-1-yl}-9-isobutyl-6-morpholin-4-yl-9H-purin-2-yl)pyrimidin-2-amine
- IUPAC
- 1-[4-[2-(2-aminopyrimidin-5-yl)-9-(2-methylpropyl)-6-morpholin-4-ylpurin-8-yl]piperazin-1-yl]-2-(dimethylamino)ethanone
Names & synonyms
SCHEMBL336348SJFRFQZIJCCSEM-UHFFFAOYSA-N5-(8-{4-[(Dimethylamino)acetyl]piperazin-1-yl}-9-isobutyl-6-morpholin-4-yl-9H-purin-2-yl)pyrimidin-2-amine
Database identifiers
- PubChem CID
- 45378017
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 766
Related reactions
3 records
Compound notes
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