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1258630-98-6 | 2-Quinazolinamine, 8-bromo-4-(4-methyl-1-piperazinyl)-
CAS No: 1258630-98-6 Catalog No: AG000OVZ MDL No:
Product Description
Catalog Number:
AG000OVZ
Chemical Name:
2-Quinazolinamine, 8-bromo-4-(4-methyl-1-piperazinyl)-
CAS Number:
1258630-98-6
Molecular Formula:
C13H16BrN5
Molecular Weight:
322.2036
IUPAC Name:
8-bromo-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
InChI:
InChI=1S/C13H16BrN5/c1-18-5-7-19(8-6-18)12-9-3-2-4-10(14)11(9)16-13(15)17-12/h2-4H,5-8H2,1H3,(H2,15,16,17)
InChI Key:
ZADMGAMTQIMWQB-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1nc(N)nc2c1cccc2Br
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.21g/mol
Monoisotopic Mass:
321.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Ligand based design of novel histamine H₄ receptor antagonists; fragment optimization and analysis of binding kinetics. | Bioorganic & medicinal chemistry letters 20120101 |
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