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17711-74-9 | 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(3-nitrophenyl)-
CAS No: 17711-74-9 Catalog No: AG00254O MDL No:
Product Description
Catalog Number:
AG00254O
Chemical Name:
1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(3-nitrophenyl)-
CAS Number:
17711-74-9
Molecular Formula:
C11H14N6O2
Molecular Weight:
262.2679
IUPAC Name:
6,6-dimethyl-1-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C11H14N6O2/c1-11(2)15-9(12)14-10(13)16(11)7-4-3-5-8(6-7)17(18)19/h3-6H,1-2H3,(H4,12,13,14,15)
InChI Key:
JZXAZFVGAXLTTI-UHFFFAOYSA-N
SMILES:
NC1=NC(N(C(=N1)N)c1cccc(c1)[N+](=O)[O-])(C)C
NSC Number:
210971
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.118g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.273g/mol
Monoisotopic Mass:
262.118g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Quantitative structure-activity relationships of the inhibition of Pneumocystis carinii dihydrofolate reductase by 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(X-phenyl)-s-triazines. | Journal of medicinal chemistry 19950317 |
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