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284681-85-2 | 4-Pyrimidinamine, 6-[(3-methylphenyl)thio]-2-(1-methylpropoxy)-
CAS No: 284681-85-2 Catalog No: AG002VFC MDL No:
Product Description
Catalog Number:
AG002VFC
Chemical Name:
4-Pyrimidinamine, 6-[(3-methylphenyl)thio]-2-(1-methylpropoxy)-
CAS Number:
284681-85-2
Molecular Formula:
C15H19N3OS
Molecular Weight:
289.3959
IUPAC Name:
2-butan-2-yloxy-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
InChI:
InChI=1S/C15H19N3OS/c1-4-11(3)19-15-17-13(16)9-14(18-15)20-12-7-5-6-10(2)8-12/h5-9,11H,4H2,1-3H3,(H2,16,17,18)
InChI Key:
SHCRRKBMJQUNLH-UHFFFAOYSA-N
SMILES:
CCC(Oc1nc(Sc2cccc(c2)C)cc(n1)N)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.125g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.397g/mol
Monoisotopic Mass:
289.125g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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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