2-(bicyclo[1.1.1]pentan-1-ylamino)-4-((1R,3R,4R)-3-hydroxy-4-methylcyclohexylamino)pyrimidine-5-carbonitrile
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Basic information
- Standard SMILES
C[C@@H]1CC[C@@H](Nc2nc(NC34CC(C3)C4)ncc2C#N)C[C@H]1O- InChIKey
MPMNGVYBYCBBMF-SSNFAGSUSA-N- Molecular formula
- C17H23N5O
- Average molar mass
- 313.4 g/mol
Names & identifiers
- Preferred name
- 2-(bicyclo[1.1.1]pentan-1-ylamino)-4-((1R,3R,4R)-3-hydroxy-4-methylcyclohexylamino)pyrimidine-5-carbonitrile
- IUPAC
- 2-(1-bicyclo[1.1.1]pentanylamino)-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL14657691MPMNGVYBYCBBMF-SSNFAGSUSA-N2-(bicyclo[1.1.1]pentan-1-ylamino)-4-((1R,3R,4R)-3-hydroxy-4-methylcyclohexylamino)pyrimidine-5-carbonitrile
Database identifiers
- PubChem CID
- 71237367
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 93.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 485
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Related reactions
2 records
Compound notes
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