2-(Dimethylamino)pyrimidine-5-boronic Acid - CAS 756817-82-0
Catalog: |
BB035372 |
Product Name: |
2-(Dimethylamino)pyrimidine-5-boronic Acid |
CAS: |
756817-82-0 |
Synonyms: |
[2-(dimethylamino)-5-pyrimidinyl]boronic acid; [2-(dimethylamino)pyrimidin-5-yl]boronic acid |
IUPAC Name: | [2-(dimethylamino)pyrimidin-5-yl]boronic acid |
Description: | 2-(Dimethylamino)pyrimidine-5-boronic Acid (CAS# 756817-82-0) is a useful research chemical. |
Molecular Weight: | 166.97 |
Molecular Formula: | C6H10N3O2B |
Canonical SMILES: | B(C1=CN=C(N=C1)N(C)C)(O)O |
InChI: | InChI=1S/C6H10BN3O2/c1-10(2)6-8-3-5(4-9-6)7(11)12/h3-4,11-12H,1-2H3 |
InChI Key: | JHGMROYFIMQNCI-UHFFFAOYSA-N |
MDL: | MFCD10696933 |
LogP: | -1.77760 |
Publication Number | Title | Priority Date |
WO-2020061117-A1 | Farnesoid x receptor agonists and uses thereof | 20180918 |
CN-113056265-A | Farnesoin X receptor agonists and uses thereof | 20180918 |
EP-3852736-A1 | Farnesoid x receptor agonists and uses thereof | 20180918 |
CN-110177785-A | A kind of dihydroisoquinoliness compound | 20170113 |
US-10647712-B2 | Dihydroisoquinoline compound | 20170113 |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.0866067 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.0866067 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 69.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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