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133116-84-4 | 2,4-Quinazolinediamine, 5-(trifluoromethyl)-
CAS No: 133116-84-4 Catalog No: AG0014AR MDL No:
Product Description
Catalog Number:
AG0014AR
Chemical Name:
2,4-Quinazolinediamine, 5-(trifluoromethyl)-
CAS Number:
133116-84-4
Molecular Formula:
C9H7F3N4
Molecular Weight:
228.1739
IUPAC Name:
5-(trifluoromethyl)quinazoline-2,4-diamine
InChI:
InChI=1S/C9H7F3N4/c10-9(11,12)4-2-1-3-5-6(4)7(13)16-8(14)15-5/h1-3H,(H4,13,14,15,16)
InChI Key:
BKZKSEVOJGEMSX-UHFFFAOYSA-N
SMILES:
Nc1nc(N)c2c(n1)cccc2C(F)(F)F
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.178g/mol
Monoisotopic Mass:
228.062g/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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