Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(Nc2nc(-c3ccccc3O)ncc2-c2ccccc2)C1- InChIKey
BKVYXKWLCHSIHU-UHFFFAOYSA-N- Molecular formula
- C25H28N4O3
- Average molar mass
- 432.5 g/mol
- Monoisotopic mass
- 432.21614077
Names & identifiers
- Preferred name
- Tert-butyl 3-[[2-(2-hydroxyphenyl)-5-phenylpyrimidin-4-yl]amino]pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 3-[[2-(2-hydroxyphenyl)-5-phenylpyrimidin-4-yl]amino]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL2330139
Database identifiers
- PubChem CID
- 136398337
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 619
Related reactions
1 records
Compound notes
Loading…