2-Amino-4-methoxypyrimidine-5-boronic Acid Pinacol Ester - CAS 944401-63-2
Catalog: |
BB041319 |
Product Name: |
2-Amino-4-methoxypyrimidine-5-boronic Acid Pinacol Ester |
CAS: |
944401-63-2 |
Synonyms: |
4-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinamine; 4-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine |
IUPAC Name: | 4-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine |
Description: | 2-Amino-4-methoxypyrimidine-5-boronic Acid Pinacol Ester (CAS# 944401-63-2 ) is a useful research chemical. |
Molecular Weight: | 251.09 |
Molecular Formula: | C11H18N3O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2OC)N |
InChI: | InChI=1S/C11H18BN3O3/c1-10(2)11(3,4)18-12(17-10)7-6-14-9(13)15-8(7)16-5/h6H,1-5H3,(H2,13,14,15) |
InChI Key: | ACMUXYYKNYNMBI-UHFFFAOYSA-N |
Boiling Point: | 436.7±55.0 °C (760 mmHg) |
Density: | 1.16±0.1 g/cm3 (20 °C, 760 mmH g) |
MDL: | MFCD18382978 |
LogP: | 0.94780 |
Publication Number | Title | Priority Date |
EP-2948451-A1 | Substituted purinone compounds | 20130122 |
EP-2948451-B1 | Substituted purinone compounds | 20130122 |
US-2015353551-A1 | Substituted purinone compounds | 20130122 |
US-9403827-B2 | Substituted purinone compounds | 20130122 |
WO-2014115077-A1 | Substituted purinone compounds | 20130122 |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.1441216 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.1441216 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 79.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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