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823220-83-3 | 4-Pyrimidinamine, 6-ethenyl-2-(methylsulfonyl)-N,N-dipropyl-
CAS No: 823220-83-3 Catalog No: AG005EGK MDL No:
Product Description
Catalog Number:
AG005EGK
Chemical Name:
4-Pyrimidinamine, 6-ethenyl-2-(methylsulfonyl)-N,N-dipropyl-
CAS Number:
823220-83-3
Molecular Formula:
C13H21N3O2S
Molecular Weight:
283.3897
IUPAC Name:
6-ethenyl-2-methylsulfonyl-N,N-dipropylpyrimidin-4-amine
InChI:
InChI=1S/C13H21N3O2S/c1-5-8-16(9-6-2)12-10-11(7-3)14-13(15-12)19(4,17)18/h7,10H,3,5-6,8-9H2,1-2,4H3
InChI Key:
QRGFGBFJDMXKOW-UHFFFAOYSA-N
SMILES:
CCCN(c1cc(C=C)nc(n1)S(=O)(=O)C)CCC
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.135g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.39g/mol
Monoisotopic Mass:
283.135g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Discovery of non-nucleoside inhibitors of HIV-1 reverse transcriptase competing with the nucleotide substrate. | Angewandte Chemie (International ed. in English) 20070101 |
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