Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(N(C(=O)c2cnc(-n3ccnc3)nc2)C2CC2)CC1- InChIKey
KESNQDUWFUJHNC-UHFFFAOYSA-N- Molecular formula
- C21H28N6O3
- Average molar mass
- 412.5 g/mol
- Monoisotopic mass
- 412.22228878
Names & identifiers
- Preferred name
- 4-[Cyclopropyl-(2-imidazol-1-yl-pyrimidine-5-carbonyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[cyclopropyl-(2-imidazol-1-ylpyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL14167779KESNQDUWFUJHNC-UHFFFAOYSA-N1415836-56-44-[Cyclopropyl-(2-imidazol-1-yl-pyrimidine-5-carbonyl)-amino]-piperidine-1-carboxylic acid tert-butyl esterDB-123261
Database identifiers
- PubChem CID
- 71093754
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 619
Related reactions
2 records
Compound notes
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