Basic information
- Standard SMILES
CC1(C)COB(c2cccc(-c3ccnc(N)n3)c2)OC1- InChIKey
ZJIPYOQWUHYZGA-UHFFFAOYSA-N- Molecular formula
- C15H18BN3O2
- Average molar mass
- 283.14 g/mol
Names & identifiers
- Preferred name
- 4-[3-(5,5-Dimethyl-[1,3,2]dioxaborinan-2-yl)-phenyl]-pyrimidin-2-ylamine
- IUPAC
- 4-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]pyrimidin-2-amine
Names & synonyms
SCHEMBL481255ZJIPYOQWUHYZGA-UHFFFAOYSA-NDB-1524604-(3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)phenyl)pyrimidin-2-amine4-[3-(5,5-dimethyl-[1,3,2]dioxaborinan-2-yl)-phenyl]-pyrimidin-2-ylamine888968-69-2
Database identifiers
- PubChem CID
- 66699591
Properties
Computed structural properties
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 346
Related reactions
4 records
Compound notes
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