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137553-43-6 | 2,4-Quinazolinediamine, 7-bromo-
CAS No: 137553-43-6 Catalog No: AG0013JO MDL No:MFCD08706214
Product Description
Catalog Number:
AG0013JO
Chemical Name:
2,4-Quinazolinediamine, 7-bromo-
CAS Number:
137553-43-6
Molecular Formula:
C8H7BrN4
Molecular Weight:
239.0720
MDL Number:
MFCD08706214
IUPAC Name:
7-bromoquinazoline-2,4-diamine
InChI:
InChI=1S/C8H7BrN4/c9-4-1-2-5-6(3-4)12-8(11)13-7(5)10/h1-3H,(H4,10,11,12,13)
InChI Key:
YPWBLOIRVSSESG-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)nc(nc2N)N
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:
1.7
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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