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119584-77-9 | 2,4-Quinazolinediamine, 6-fluoro-
CAS No: 119584-77-9 Catalog No: AG000IZM MDL No:MFCD03094417
Product Description
Catalog Number:
AG000IZM
Chemical Name:
2,4-Quinazolinediamine, 6-fluoro-
CAS Number:
119584-77-9
Molecular Formula:
C8H7FN4
Molecular Weight:
178.1664
MDL Number:
MFCD03094417
IUPAC Name:
6-fluoroquinazoline-2,4-diamine
InChI:
InChI=1S/C8H7FN4/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,(H4,10,11,12,13)
InChI Key:
MFEFVGSUKKCJMU-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(N)nc(n2)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:
178.065g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.17g/mol
Monoisotopic Mass:
178.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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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