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119584-75-7

119584-75-7 | 2,4-Quinazolinediamine, 5-bromo-

CAS No: 119584-75-7 Catalog No: AG000IZO MDL No:MFCD01411817

Product Description

Catalog Number:
AG000IZO
Chemical Name:
2,4-Quinazolinediamine, 5-bromo-
CAS Number:
119584-75-7
Molecular Formula:
C8H7BrN4
Molecular Weight:
239.0720
MDL Number:
MFCD01411817
IUPAC Name:
5-bromoquinazoline-2,4-diamine
InChI:
InChI=1S/C8H7BrN4/c9-4-2-1-3-5-6(4)7(10)13-8(11)12-5/h1-3H,(H4,10,11,12,13)
InChI Key:
NPAVQJGHQXYNDS-UHFFFAOYSA-N
SMILES:
Nc1nc2cccc(c2c(n1)N)Br

Properties

Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.985g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
239.076g/mol
Monoisotopic Mass:
237.985g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Literature

Title Journal
Structure-activity and structure-selectivity studies on diaminoquinazolines and other inhibitors of Pneumocystis carinii and Toxoplasma gondii dihydrofolate reductase. Antimicrobial agents and chemotherapy 19950101

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