2-Aminopyrimidine-5-boronic acid

Product Information

Molecular Formula:
C4H6BN3O2
Molecular Weight:
138.92
Description
May contain varying amounts of anhydride.
Synonyms
2-Amino-pyrimidine-5-boronic acid; 2-aminopyrimidin-5-ylboronic acid; 2-Amino-5-pyrimidineboronic acid; MFCD07375147; 2-AMINOPYRIMIDIN-5-YL-5-BORONIC ACID; AK-62138; ACMC-209rmr
IUPAC Name
(2-aminopyrimidin-5-yl)boronic acid
Canonical SMILES
B(C1=CN=C(N=C1)N)(O)O
InChI
InChI=1S/C4H6BN3O2/c6-4-7-1-3(2-8-4)5(9)10/h1-2,9-10H,(H2,6,7,8)
InChI Key
CGHYQZASLKERLV-UHFFFAOYSA-N
Boiling Point
487.0±55.0 °C (Predicted)
Melting Point
206-211 °C
Purity
> 98 % (HPLC)
Density
1.440±0.10 g/cm3 (Predicted)
Solubility
Slightly soluble in DMSO (Heated), Methanol (Heated)
Appearance
Off-white solid
Storage
2-8 °C under inert atmosphere
LogP
-1.68020

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
139.0553066 g/mol
Monoisotopic Mass
139.0553066 g/mol
Topological Polar Surface Area
92.3Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
105
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
CN-113735864-A D-benzothiadiazole-TB (-D) derivative and synthetic method and application thereof 2021-07-30
WO-2022054335-A1 Photocatalyst complex 2020-09-11
JP-2022038301-A Solid composition and its production method 2020-08-26
WO-2022044422-A1 Solid composition and method for producing same 2020-08-26
CN-111848629-A mTOR/HDAC dual inhibitor and application thereof 2020-07-15
CN-111848629-B mTOR/HDAC dual inhibitor and application thereof 2020-07-15
WO-2021249913-A1 2'-(quinolin-3-yl)-5',6'-dihydrospiro[azetidine-3,4'-pyrrolo[1,2-b]pyrazole]-1-carboxylate derivatives and related compounds as map4k1 (hpk1) inhibitors for the treatment of cancer 2020-06-09
WO-2021249913-A9 2'-(quinolin-3-yl)-5',6'-dihydrospiro[azetidine-3,4'-pyrrolo[1,2-b]pyrazole]-1-carboxylate derivatives and related compounds as map4k1 (hpk1) inhibitors for the treatment of cancer 2020-06-09
WO-2021243421-A1 Dual kinase-bromodomain inhibitors 2020-06-05
WO-2021235024-A1 Composition and method for producing same 2020-05-21
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

Related Products

Online Inquiry
  • Verification code
USA
  • International: 1-631-504-6093
  • US & Canada (Toll free): 1-844-BOC(262)-0123
  • 45-16 Ramsey Road, Shirley, NY 11967, USA
  • Email: info@bocsci.com
  • Fax: 1-631-614-7828
UK
  • 44-20-3286-1088
  • 85 Great Portland Street, London, W1W 7LT
  • Email: info@bocsci.com
Copyright © 2025 BOC Sciences. All rights reserved.
Top
0
Inquiry Basket

No data available, please add!

Delete selectedGo to checkout

We use cookies to understand how you use our site and to improve the overall user experience. This includes personalizing content and advertising. Read our Privacy Policy

Accept Cookies
x