4-[3-(5,5-Dimethyl-[1,3,2]dioxaborinan-2-yl)-phenyl]-pyrimidin-2-ylamine

HCID 66699591

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

Related reactions

4 records

Compound notes

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