Basic information
- Standard SMILES
Cc1nc(N)nc(N[C@@H](C)c2nc3ccn(C)c3cc2C2CCOCC2)c1C#N- InChIKey
WSGIFYJHUYPQSA-ZDUSSCGKSA-N- Molecular formula
- C21H25N7O
- Average molar mass
- 391.5 g/mol
Names & identifiers
- Preferred name
- (S)-2-Amino-4-methyl-6-((1-(1-methyl-6-(tetrahydro-2H-pyran-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl)amino)pyrimidine-5-carbonitrile
- IUPAC
- 2-amino-4-methyl-6-[[(1S)-1-[1-methyl-6-(oxan-4-yl)pyrrolo[3,2-b]pyridin-5-yl]ethyl]amino]pyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL15411676WSGIFYJHUYPQSA-ZDUSSCGKSA-N(S)-2-Amino-4-methyl-6-((1-(1-methyl-6-(tetrahydro-2H-pyran-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl)amino)pyrimidine-5-carbonitrile
Database identifiers
- PubChem CID
- 73055112
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 603
Related reactions
1 records
Compound notes
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