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284681-86-3 | 4-Pyrimidinamine, 2-(1-methylpropoxy)-6-(phenylsulfonyl)-
CAS No: 284681-86-3 Catalog No: AG002VFB MDL No:
Product Description
Catalog Number:
AG002VFB
Chemical Name:
4-Pyrimidinamine, 2-(1-methylpropoxy)-6-(phenylsulfonyl)-
CAS Number:
284681-86-3
Molecular Formula:
C14H17N3O3S
Molecular Weight:
307.3681
IUPAC Name:
6-(benzenesulfonyl)-2-butan-2-yloxypyrimidin-4-amine
InChI:
InChI=1S/C14H17N3O3S/c1-3-10(2)20-14-16-12(15)9-13(17-14)21(18,19)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H2,15,16,17)
InChI Key:
CQIBKNIQFCCAEK-UHFFFAOYSA-N
SMILES:
CCC(Oc1nc(N)cc(n1)S(=O)(=O)c1ccccc1)C
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.099g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.368g/mol
Monoisotopic Mass:
307.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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