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284681-52-3 | 4-Pyrimidinamine, 2-[(3-methoxyphenyl)thio]-6-(1-methylpropoxy)-
CAS No: 284681-52-3 Catalog No: AG002VET MDL No:
Product Description
Catalog Number:
AG002VET
Chemical Name:
4-Pyrimidinamine, 2-[(3-methoxyphenyl)thio]-6-(1-methylpropoxy)-
CAS Number:
284681-52-3
Molecular Formula:
C15H19N3O2S
Molecular Weight:
305.3953
IUPAC Name:
6-butan-2-yloxy-2-(3-methoxyphenyl)sulfanylpyrimidin-4-amine
InChI:
InChI=1S/C15H19N3O2S/c1-4-10(2)20-14-9-13(16)17-15(18-14)21-12-7-5-6-11(8-12)19-3/h5-10H,4H2,1-3H3,(H2,16,17,18)
InChI Key:
DISDJHUXDIMQTH-UHFFFAOYSA-N
SMILES:
CCC(Oc1nc(nc(c1)N)Sc1cccc(c1)OC)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.12g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.396g/mol
Monoisotopic Mass:
305.12g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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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