2-ethoxypyrimidine-5-boronic acid

Product Information

Molecular Formula:
C6H9BN2O3
Molecular Weight:
167.96
Description
2-Ethoxypyrimidine-5-boronic acid is primarily used in medicinal chemistry, specifically relevant in the synthesis of certain cancer treatment drugs. It plays a vital role in developing targeted therapies for malignancies related to cell proliferation dysregulation.
Synonyms
(2-Ethoxypyrimidin-5-yl)boronic acid; 2-ethoxypyrimidin-5-ylboronic acid; 2-ethoxy-pyrimidine-5-boronic acid; (2-Ethoxypyrimidin-5-yl)boronicacid
IUPAC Name
(2-ethoxypyrimidin-5-yl)boronic acid
Canonical SMILES
B(C1=CN=C(N=C1)OCC)(O)O
InChI
InChI=1S/C6H9BN2O3/c1-2-12-6-8-3-5(4-9-6)7(10)11/h3-4,10-11H,2H2,1H3
InChI Key
VTPBKJXRYUDPAJ-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H302

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
168.0706223 g/mol
Monoisotopic Mass
168.0706223 g/mol
Topological Polar Surface Area
75.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
128
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2020168143-A1 Substituted bicyclic compounds as farnesoid x receptor modulators 2019-02-15
AU-2020223316-A1 Substituted bicyclic compounds as farnesoid X receptor modulators 2019-02-15
CA-3129533-A1 Substituted bicyclic compounds as farnesoid x receptor modulators 2019-02-15
US-2021261535-A1 Substituted bicyclic compounds as farnesoid x receptor modulators 2019-02-15
CN-113710656-A Substituted bicyclic compounds as farnesoid X receptor modulators 2019-02-15
EP-3924336-A1 Substituted bicyclic compounds as farnesoid x receptor modulators 2019-02-15
KR-20210127220-A Substituted Bicyclic Compounds as Farnesoid X Receptor Modulators 2019-02-15
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators 2019-02-15
WO-2020121261-A1 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same 2018-12-14
US-2020223827-A1 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same 2018-12-14
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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