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Racemic N-methyl-4-[2-(methyl-sulfan-yl)-pyrimidin-4-yl]-1-(tetra-hydro-furan-3-yl)-1H-pyrazol-5-amine.

Liu Z, Liu KK, Rheingold AL, Dipasquale A, Yanovsky A - Acta Crystallogr Sect E Struct Rep Online (2009)

Bottom Line: The title compound, C(13)H(17)N(5)OS, was obtained by cyclo-addition of 2-[2-(methyl-sulfan-yl)pyrimidin-4-yl]-3-oxo-propane-nitrile with (tetra-hydro-furan-3-yl)hydrazine dihydro-chloride and subsequent N-methyl-ation of 4-[2-(methyl-sulfan-yl)-pyrimidin-4-yl]-1-(tetra-hydro-furan-2-yl)-1H-pyrazol-5-amine with methyl iodide.The two mol-ecules in the asymmetric unit have opposite absolute configurations and are related by a noncrystallographic inversion center.The geometry of the mol-ecules is similar to that observed in the structure of a single enanti-omer of the title compound.

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ABSTRACT
The title compound, C(13)H(17)N(5)OS, was obtained by cyclo-addition of 2-[2-(methyl-sulfan-yl)pyrimidin-4-yl]-3-oxo-propane-nitrile with (tetra-hydro-furan-3-yl)hydrazine dihydro-chloride and subsequent N-methyl-ation of 4-[2-(methyl-sulfan-yl)-pyrimidin-4-yl]-1-(tetra-hydro-furan-2-yl)-1H-pyrazol-5-amine with methyl iodide. The two mol-ecules in the asymmetric unit have opposite absolute configurations and are related by a noncrystallographic inversion center. Both feature intra-mol-ecular N-H⋯N hydrogen bonds. The geometry of the mol-ecules is similar to that observed in the structure of a single enanti-omer of the title compound.

No MeSH data available.


Two independent molecules in the structure of the title compound with the atom labeling scheme. The displacement ellipsoids are drawn at the 50% probability level; H atoms are represented as circles with arbitrary small radius.
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Fap1: Two independent molecules in the structure of the title compound with the atom labeling scheme. The displacement ellipsoids are drawn at the 50% probability level; H atoms are represented as circles with arbitrary small radius.


Racemic N-methyl-4-[2-(methyl-sulfan-yl)-pyrimidin-4-yl]-1-(tetra-hydro-furan-3-yl)-1H-pyrazol-5-amine.

Liu Z, Liu KK, Rheingold AL, Dipasquale A, Yanovsky A - Acta Crystallogr Sect E Struct Rep Online (2009)

Two independent molecules in the structure of the title compound with the atom labeling scheme. The displacement ellipsoids are drawn at the 50% probability level; H atoms are represented as circles with arbitrary small radius.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2977768&req=5

Fap1: Two independent molecules in the structure of the title compound with the atom labeling scheme. The displacement ellipsoids are drawn at the 50% probability level; H atoms are represented as circles with arbitrary small radius.
Bottom Line: The title compound, C(13)H(17)N(5)OS, was obtained by cyclo-addition of 2-[2-(methyl-sulfan-yl)pyrimidin-4-yl]-3-oxo-propane-nitrile with (tetra-hydro-furan-3-yl)hydrazine dihydro-chloride and subsequent N-methyl-ation of 4-[2-(methyl-sulfan-yl)-pyrimidin-4-yl]-1-(tetra-hydro-furan-2-yl)-1H-pyrazol-5-amine with methyl iodide.The two mol-ecules in the asymmetric unit have opposite absolute configurations and are related by a noncrystallographic inversion center.The geometry of the mol-ecules is similar to that observed in the structure of a single enanti-omer of the title compound.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The title compound, C(13)H(17)N(5)OS, was obtained by cyclo-addition of 2-[2-(methyl-sulfan-yl)pyrimidin-4-yl]-3-oxo-propane-nitrile with (tetra-hydro-furan-3-yl)hydrazine dihydro-chloride and subsequent N-methyl-ation of 4-[2-(methyl-sulfan-yl)-pyrimidin-4-yl]-1-(tetra-hydro-furan-2-yl)-1H-pyrazol-5-amine with methyl iodide. The two mol-ecules in the asymmetric unit have opposite absolute configurations and are related by a noncrystallographic inversion center. Both feature intra-mol-ecular N-H⋯N hydrogen bonds. The geometry of the mol-ecules is similar to that observed in the structure of a single enanti-omer of the title compound.

No MeSH data available.