2-Amino-6-bromoquinazoline - CAS 190273-89-3

Catalog:	BB014707
Product Name:	2-Amino-6-bromoquinazoline
CAS:	190273-89-3
Synonyms:	6-bromo-2-quinazolinamine; 6-bromoquinazolin-2-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-bromoquinazolin-2-amine
Description:	2-Amino-6-bromoquinazoline (CAS# 190273-89-3) is a useful research chemical.
Molecular Weight:	224.06
Molecular Formula:	C8H6BrN3
Canonical SMILES:	C1=CC2=NC(=NC=C2C=C1Br)N
InChI:	InChI=1S/C8H6BrN3/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-4H,(H2,10,11,12)
InChI Key:	IJXKEDDKGGBSBX-UHFFFAOYSA-N
Boiling Point:	425.339 °C at 760 mmHg
Density:	1.744 g/cm³
MDL:	MFCD04114089
LogP:	2.55570

Publication Number	Title	Priority Date
WO-2021165346-A1	Gcn2 modulator compounds	20200217
WO-2020232401-A1	Combination therapies with ire1 small molecule inhibitors	20190515
WO-2020232403-A1	Treatment of fibrosis with ire1 small molecule inhibitors	20190515
WO-2020063854-A1	Quinoline-based derivatives as vap-1 inhibitors	20180927
CA-3082363-A1	Ire1 small molecule inhibitors	20171110

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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

Complexity:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.97451
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	222.97451
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9