Basic information
- Standard SMILES
CC(C)Cn1c(Cl)nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21- InChIKey
CSBSQWMQXKAAGI-UHFFFAOYSA-N- Molecular formula
- C17H21ClN8O
- Average molar mass
- 388.9 g/mol
- Monoisotopic mass
- 388.152685
Names & identifiers
- Preferred name
- 5-(8-Chloro-9-isobutyl-6-morpholino-9H-purin-2-yl)pyrimidin-2-amine
- IUPAC
- 5-[8-chloro-9-(2-methylpropyl)-6-morpholin-4-ylpurin-2-yl]pyrimidin-2-amine
Names & synonyms
5-(8-Chloro-9-isobutyl-6-morpholino-9H-purin-2-yl)pyrimidin-2-amine1222105-30-7SCHEMBL336657CSBSQWMQXKAAGI-UHFFFAOYSA-N5-(8-chloro-9-isobutyl-6-morpholin-4-yl-9H-purin-2-yl)pyrimidin-2-amine
Database identifiers
- PubChem CID
- 59333549
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 486
Related reactions
12 records
Linked notes
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