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 |
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 |
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 |
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 |
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 |
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