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284681-87-4 | 4-Pyrimidinamine, 6-[(3,5-dimethylphenyl)sulfonyl]-2-(1-methylpropoxy)-
CAS No: 284681-87-4 Catalog No: AG002VFA MDL No:
Product Description
Catalog Number:
AG002VFA
Chemical Name:
4-Pyrimidinamine, 6-[(3,5-dimethylphenyl)sulfonyl]-2-(1-methylpropoxy)-
CAS Number:
284681-87-4
Molecular Formula:
C16H21N3O3S
Molecular Weight:
335.4212
IUPAC Name:
2-butan-2-yloxy-6-(3,5-dimethylphenyl)sulfonylpyrimidin-4-amine
InChI:
InChI=1S/C16H21N3O3S/c1-5-12(4)22-16-18-14(17)9-15(19-16)23(20,21)13-7-10(2)6-11(3)8-13/h6-9,12H,5H2,1-4H3,(H2,17,18,19)
InChI Key:
YFBUTSSKLJMRMF-UHFFFAOYSA-N
SMILES:
CCC(Oc1nc(N)cc(n1)S(=O)(=O)c1cc(C)cc(c1)C)C
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.13g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.422g/mol
Monoisotopic Mass:
335.13g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Structure-activity relationship studies on potential non-nucleoside DABO-like inhibitors of HIV-1 reverse transcriptase. | Antiviral chemistry & chemotherapy 20000301 |
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