Basic information
- Standard SMILES
COc1nc(N2CCOCC2)nc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1I- InChIKey
XQEJDOYMJFYTPO-CYBMUJFWSA-N- Molecular formula
- C19H30IN5O4
- Average molar mass
- 519.4 g/mol
- Monoisotopic mass
- 519.13425
Names & identifiers
- Preferred name
- (R)-Tert-butyl 3-(5-iodo-6-methoxy-2-morpholinopyrimidin-4-ylamino)piperidine-1-carboxylate
- IUPAC
- tert-butyl (3R)-3-[(5-iodo-6-methoxy-2-morpholin-4-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL14932343XQEJDOYMJFYTPO-CYBMUJFWSA-N(R)-Tert-butyl 3-(5-iodo-6-methoxy-2-morpholinopyrimidin-4-ylamino)piperidine-1-carboxylatetert-butyl (3R)-3-[[5-iodo-6-methoxy-2-(morpholin-4-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 89554305
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 543
Related reactions
10 records
Compound notes
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