(R)-tert-butyl 3-(4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1-carboxylate
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(I)c3c(N)ncnc32)C1- InChIKey
FVOFFERFHBRNPL-SNVBAGLBSA-N- Molecular formula
- C16H22IN5O2
- Average molar mass
- 443.28 g/mol
Names & identifiers
- Preferred name
- (R)-tert-butyl 3-(4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1-carboxylate
- IUPAC
- tert-butyl (3R)-3-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1-carboxylate
Names & synonyms
SCHEMBL13858167SCHEMBL30806175FVOFFERFHBRNPL-SNVBAGLBSA-N(R)-tert-butyl 3-(4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 71014221
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 472
Related reactions
15 records
Compound notes
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