Basic information
- Standard SMILES
Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3cc(C#N)nc(C)n3)CC2)nc1- InChIKey
HKXDXTQZBMRFCT-IEBWSBKVSA-N- Molecular formula
- C21H26N6O
- Average molar mass
- 378.5 g/mol
Names & identifiers
- Preferred name
- 2-methyl-6-(2-{(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl}ethoxy)pyrimidine-4-carbonitrile
- IUPAC
- 2-methyl-6-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]pyrimidine-4-carbonitrile
Names & synonyms
SCHEMBL1185811HKXDXTQZBMRFCT-IEBWSBKVSA-N2-methyl-6-(2-{(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl}ethoxy)pyrimidine-4-carbonitrile
Database identifiers
- PubChem CID
- 44467758
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 548
Related reactions
1 records
Compound notes
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