Basic information
- Standard SMILES
CCCNc1nc(Cl)ncc1C#C[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1- InChIKey
IUYMVVKYAYMKFM-HOCLYGCPSA-N- Molecular formula
- C20H29ClN4O2
- Average molar mass
- 392.9 g/mol
- Monoisotopic mass
- 392.1979039
Names & identifiers
- Preferred name
- tert-butyl ((1S,3R)-3-((2-chloro-4-(propylamino)pyrimidin-5-yl)ethynyl)cyclohexyl)carbamate
- IUPAC
- tert-butyl N-[(1S,3R)-3-[2-[2-chloro-4-(propylamino)pyrimidin-5-yl]ethynyl]cyclohexyl]carbamate
Names & synonyms
SCHEMBL15585281IUYMVVKYAYMKFM-HOCLYGCPSA-Ntert-butyl ((1S,3R)-3-((2-chloro-4-(propylamino)pyrimidin-5-yl)ethynyl)cyclohexyl)carbamate
Database identifiers
- PubChem CID
- 90052871
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 551
Related reactions
2 records
Compound notes
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