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284681-54-5 | 4-Pyrimidinamine, 2-[(4-fluorophenyl)thio]-6-(1-methylpropoxy)-
CAS No: 284681-54-5 Catalog No: AG002VER MDL No:
Product Description
Catalog Number:
AG002VER
Chemical Name:
4-Pyrimidinamine, 2-[(4-fluorophenyl)thio]-6-(1-methylpropoxy)-
CAS Number:
284681-54-5
Molecular Formula:
C14H16FN3OS
Molecular Weight:
293.3597
IUPAC Name:
6-butan-2-yloxy-2-(4-fluorophenyl)sulfanylpyrimidin-4-amine
InChI:
InChI=1S/C14H16FN3OS/c1-3-9(2)19-13-8-12(16)17-14(18-13)20-11-6-4-10(15)5-7-11/h4-9H,3H2,1-2H3,(H2,16,17,18)
InChI Key:
UURKELCZHKBJLY-UHFFFAOYSA-N
SMILES:
CCC(Oc1nc(Sc2ccc(cc2)F)nc(c1)N)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.36g/mol
Monoisotopic Mass:
293.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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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