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1009734-33-1 | 2,4-Quinazolinediamine, 5-(1,1-dimethylethoxy)-
CAS No: 1009734-33-1 Catalog No: AG0003CS MDL No:MFCD22666183
Product Description
Catalog Number:
AG0003CS
Chemical Name:
2,4-Quinazolinediamine, 5-(1,1-dimethylethoxy)-
CAS Number:
1009734-33-1
Molecular Formula:
C12H16N4O
Molecular Weight:
232.2816
MDL Number:
MFCD22666183
IUPAC Name:
5-[(2-methylpropan-2-yl)oxy]quinazoline-2,4-diamine
InChI:
InChI=1S/C12H16N4O/c1-12(2,3)17-8-6-4-5-7-9(8)10(13)16-11(14)15-7/h4-6H,1-3H3,(H4,13,14,15,16)
InChI Key:
JQHKDYFLRJIBLX-UHFFFAOYSA-N
SMILES:
Nc1nc(N)c2c(n1)cccc2OC(C)(C)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.287g/mol
Monoisotopic Mass:
232.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Discovery and optimization of 2,4-diaminoquinazoline derivatives as a new class of potent dengue virus inhibitors. | Journal of medicinal chemistry 20120412 |
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