Basic information
- Standard SMILES
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)c(C3=CCOCC3)c2n1C- InChIKey
YGTZZQVUTUGCIS-NSHDSACASA-N- Molecular formula
- C20H20FN7O
- Average molar mass
- 393.4 g/mol
Names & identifiers
- Preferred name
- 4-amino-6-[[(1S)-1-[7-(3,6-dihydro-2H-pyran-4-yl)-6-fluoro-1-methyl-benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
- IUPAC
- 4-amino-6-[[(1S)-1-[7-(3,6-dihydro-2H-pyran-4-yl)-6-fluoro-1-methylbenzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL11902252YGTZZQVUTUGCIS-NSHDSACASA-N4-amino-6-[[(1S)-1-[7-(3,6-dihydro-2H-pyran-4-yl)-6-fluoro-1-methyl-benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
Database identifiers
- PubChem CID
- 68158286
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 666
Related reactions
1 records
Compound notes
Loading…