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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.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.

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.

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Related in: MedlinePlus

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.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.

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.


Related in: MedlinePlus