2-Dimethylaminopyrimidine-5-boronic acid pinacol ester
Product Information
Molecular Formula
C12H20BN3O2
Molecular Weight
249.12
Description
2-Dimethylaminopyrimidine-5-boronic acid pinacol ester is a pharmaceutical intermediate often used in research. It is instrumental in the synthesis of kinase inhibitors, key in developing drugs dealing with cardiovascular diseases, cancer and Alzheimer's.
Synonyms
2-(Dimethylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
IUPAC Name
N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)N(C)C
InChI
InChI=1S/C12H20BN3O2/c1-11(2)12(3,4)18-13(17-11)9-7-14-10(15-8-9)16(5)6/h7-8H,1-6H3
InChI Key
RMPRVJCNMPFBCX-UHFFFAOYSA-N
Melting Point
107-112°C
Flash Point
Not applicable
Purity
98%
Storage
2-8°C
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
249.1648571 g/mol
Monoisotopic Mass
249.1648571 g/mol
Topological Polar Surface Area
47.5Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
286
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 |
|---|---|---|
| TW-202003508-A | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 2018-03-21 |
| US-2019322655-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 2018-03-21 |
| CN-111886233-A | Novel triazolone derivative or salt thereof and pharmaceutical composition comprising the same | 2018-03-21 |
| US-10995086-B2 | Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 2018-03-21 |
| US-2021317110-A1 | Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 2018-03-21 |
| CN-111372926-A | Inhibitors of WDR5 protein-protein binding | 2017-09-06 |
| US-2020385371-A1 | Inhibitors of wdr5 protein-protein binding | 2017-09-06 |
| US-2018072741-A1 | Pyrazolopyrimidine compounds and uses thereof | 2016-09-09 |
| US-2020172545-A1 | Pyrazolopyrimidine compounds and uses thereof | 2016-09-09 |
| US-11014929-B2 | Pyrazolopyrimidine compounds and uses thereof | 2016-09-09 |
