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119584-76-8 | 2,4-Quinazolinediamine, 5-iodo-
CAS No: 119584-76-8 Catalog No: AG000IZN MDL No:MFCD01411818
Product Description
Catalog Number:
AG000IZN
Chemical Name:
2,4-Quinazolinediamine, 5-iodo-
CAS Number:
119584-76-8
Molecular Formula:
C8H7IN4
Molecular Weight:
286.0725
MDL Number:
MFCD01411818
IUPAC Name:
5-iodoquinazoline-2,4-diamine
InChI:
InChI=1S/C8H7IN4/c9-4-2-1-3-5-6(4)7(10)13-8(11)12-5/h1-3H,(H4,10,11,12,13)
InChI Key:
SUZLYYOTNUWNLR-UHFFFAOYSA-N
SMILES:
Nc1nc2cccc(c2c(n1)N)I
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.972g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.076g/mol
Monoisotopic Mass:
285.972g/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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