Basic information
- Standard SMILES
CNc1nccc(-c2cc(NC3CCN(C(=O)OC(C)(C)C)C3)c3cc(OC)ccc3c2)n1- InChIKey
RINJZILXRXDBEQ-UHFFFAOYSA-N- Molecular formula
- C25H31N5O3
- Average molar mass
- 449.5 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 3-((7-methoxy-3-(2-(methylamino)pyrimidin-4-yl)naphthalen-1-yl)amino)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 3-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL2178139RINJZILXRXDBEQ-UHFFFAOYSA-Ntert-butyl 3-((7-methoxy-3-(2-(methylamino)pyrimidin-4-yl)naphthalen-1-yl)amino)pyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 53258407
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 656
Related reactions
1 records
Compound notes
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