Basic information
- Standard SMILES
CC(Nc1nc(N)nc(N)c1Cl)c1nc2ccn(C)c2cc1N1CC(O)C1- InChIKey
RNGSVUXAPPSUNN-UHFFFAOYSA-N- Molecular formula
- C17H21ClN8O
- Average molar mass
- 388.9 g/mol
Names & identifiers
- Preferred name
- 1-(5-(1-((2,6-Diamino-5-chloropyrimidin-4-yl)amino)ethyl)-1-methyl-1H-pyrrolo[3,2-b]pyridin-6-yl)azetidin-3-ol
- IUPAC
- 1-[5-[1-[(2,6-diamino-5-chloropyrimidin-4-yl)amino]ethyl]-1-methylpyrrolo[3,2-b]pyridin-6-yl]azetidin-3-ol
Names & synonyms
SCHEMBL15410081RNGSVUXAPPSUNN-UHFFFAOYSA-N1-(5-(1-((2,6-Diamino-5-chloropyrimidin-4-yl)amino)ethyl)-1-methyl-1H-pyrrolo[3,2-b]pyridin-6-yl)azetidin-3-ol
Database identifiers
- PubChem CID
- 73055706
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 523
Related reactions
1 records
Compound notes
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