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13741-90-7 | 2,4,6-Quinazolinetriamine
CAS No: 13741-90-7 Catalog No: AG00139Q MDL No:MFCD06411665
Product Description
Catalog Number:
AG00139Q
Chemical Name:
2,4,6-Quinazolinetriamine
CAS Number:
13741-90-7
Molecular Formula:
C8H9N5
Molecular Weight:
175.1906
MDL Number:
MFCD06411665
IUPAC Name:
quinazoline-2,4,6-triamine
InChI:
InChI=1S/C8H9N5/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,9H2,(H4,10,11,12,13)
InChI Key:
LJBWEZVYRBKOCI-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)c(N)nc(n2)N
NSC Number:
158574
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.086g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
175.195g/mol
Monoisotopic Mass:
175.086g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| N9-substituted 2,4-diaminoquinazolines: synthesis and biological evaluation of lipophilic inhibitors of pneumocystis carinii and toxoplasma gondii dihydrofolate reductase. | Journal of medicinal chemistry 20081009 |
| Structure and reactivity of Trypanosoma brucei pteridine reductase: inhibition by the archetypal antifolate methotrexate. | Molecular microbiology 20060901 |
| Inhibition of Leishmania major pteridine reductase by 2,4,6-triaminoquinazoline: structure of the NADPH ternary complex. | Acta crystallographica. Section D, Biological crystallography 20041001 |
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