Cas no 1402166-41-9 (1-(5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)pyrimidin-2-yl)pyrrolidin-3-ol)

1-(5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)pyrimidin-2-yl)pyrrolidin-3-ol structure
1402166-41-9 structure
Product Name:1-(5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)pyrimidin-2-yl)pyrrolidin-3-ol
CAS No:1402166-41-9
MF:C14H22BN3O3
MW:291.153783321381
CID:2182068
Update Time:2023-08-06

1-(5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)pyrimidin-2-yl)pyrrolidin-3-ol Chemical and Physical Properties

Names and Identifiers

    • 1-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)pyrrolidin-3-ol
    • 1-(5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyrimidin-2-yl)pyrrolidin-3-ol
    • 1-(5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)pyrimidin-2-yl)pyrrolidin-3-ol
    • Inchi: 1S/C14H22BN3O3/c1-13(2)14(3,4)21-15(20-13)10-7-16-12(17-8-10)18-6-5-11(19)9-18/h7-8,11,19H,5-6,9H2,1-4H3
    • InChI Key: BGWBKAFRBKVNOS-UHFFFAOYSA-N
    • SMILES: O1B(C2C=NC(=NC=2)N2CCC(C2)O)OC(C)(C)C1(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 370
  • Topological Polar Surface Area: 67.7
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