2-Amino-5-bromoquinazoline - CAS 181871-83-0

Catalog:	BB013848
Product Name:	2-Amino-5-bromoquinazoline
CAS:	181871-83-0
Synonyms:	5-bromo-2-quinazolinamine; 5-bromoquinazolin-2-amine

Technical Data

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Computed Properties

IUPAC Name:	5-bromoquinazolin-2-amine
Description:	2-Amino-5-bromoquinazoline (CAS# 181871-83-0) is used in the preparation of Tetrazolylarylsulfonamides as metallo-beta-lactamase inhibitors.
Molecular Weight:	224.06
Molecular Formula:	C8H6BrN3
Canonical SMILES:	C1=CC2=NC(=NC=C2C(=C1)Br)N
InChI:	InChI=1S/C8H6BrN3/c9-6-2-1-3-7-5(6)4-11-8(10)12-7/h1-4H,(H2,10,11,12)
InChI Key:	GFCQMFNVELGDHD-UHFFFAOYSA-N
MDL:	MFCD09834658
LogP:	2.55570

Publication Number	Title	Priority Date
WO-2021165346-A1	Gcn2 modulator compounds	20200217
AU-2013314839-A1	Alkynyl heteroaromatic ring compound and application thereof	20120917
EP-2896620-A1	Alkynyl heteroaromatic ring compound and application thereof	20120917
KR-20150067140-A	Alkynyl heteroaromatic ring compound and application thereof	20120917
US-2015152088-A1	Alkynyl heteroaromatic compound and use thereof	20120917

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, 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