2-Aminopyrimidine-5-boronic acid - CAS 936250-22-5

Name: 2-Aminopyrimidine-5-boronic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB040997
Product Name:	2-Aminopyrimidine-5-boronic acid
CAS:	936250-22-5
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

Technical Data

IUPAC Name:	(2-aminopyrimidin-5-yl)boronic acid
Description:	May contain varying amounts of anhydride.
Molecular Weight:	138.92
Molecular Formula:	C4H6BN3O2
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
MDL:	MFCD07375147
LogP:	-1.68020

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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

Publication Number	Title	Priority Date
CN-111848629-A	mTOR/HDAC dual inhibitor and application thereof	20200715
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WO-2020254550-A1	Carbon quantum dots with improved optical properties	20190620

Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.0553066
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	139.0553066
Rotatable Bond Count:	1
Topological Polar Surface Area:	92.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0