2,4-Dimethoxy-5-pyrimidineboronic Acid

Product Information

Molecular Formula:
C6H9N2O4B
Molecular Weight:
183.96
Description
2,4-Dimethoxy-5-pyrimidineboronic Acid (CAS# 89641-18-9) is a useful research chemical.
Synonyms
(2,4-dimethoxy-5-pyrimidinyl)boronic acid; (2,4-dimethoxypyrimidin-5-yl)boronic acid
IUPAC Name
(2,4-dimethoxypyrimidin-5-yl)boronic acid
Canonical SMILES
B(C1=CN=C(N=C1OC)OC)(O)O
InChI
InChI=1S/C6H9BN2O4/c1-12-5-4(7(10)11)3-8-6(9-5)13-2/h3,10-11H,1-2H3
InChI Key
LKGKUACPLXCVOF-UHFFFAOYSA-N
Boiling Point
420.6 ℃ at 760 mmHg
Melting Point
113-117 ℃
Flash Point
Not applicable
Purity
90 %
Density
1.33 g/cm3
Storage
2-8 ℃
LogP
-1.82640

Safety Information

Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
3
Exact Mass
184.0655369 g/mol
Monoisotopic Mass
184.0655369 g/mol
Topological Polar Surface Area
84.7Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
160
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-2022052886-A1 Cd73 inhibitor and application thereof in medicine 2020-09-08
CN-114057693-A CD73 inhibitor and application thereof in medicine 2020-08-03
WO-2022007677-A1 Cd73 inhibitor and application in pharmaceutical use 2020-07-07
WO-2021231615-A1 Substituted pyridazinone for use in the treatment of neuromuscular diseases 2020-05-13
WO-2021222522-A1 Cd73 inhibiting 2,4-dioxopyrimidine compounds 2020-05-01
CN-114096541-A Crystal form of p53-MDM2 inhibitor and preparation method thereof 2019-09-12
WO-2021041319-A1 Crystalline forms of a cd73 inhibitor 2019-08-29
CN-111808057-A Suzuki reaction using alpha-O-alkenylsulfone as electrophile and use thereof 2019-04-10
CN-111808089-A Preparation method of drug eprogliflozin for treating diabetes or derivative thereof 2019-04-10
WO-2020097266-A1 Pyridazinone compounds and uses thereof 2018-11-06
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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