1-(2-Amino-6-methyl­pyrimidin-4-yl)-N,N-dimethyl­piperidin-4-aminium chloride

In the title mol­ecular salt, C(12)H(22)N(5) (+)·Cl(−), the cation is protonated at the dimethyl-substituted tertiary N atom. The piperidine ring adopts a chair conformation with the exocyclic N—C bond in an equatorial orientation. The dihedral angle between the piperidine ring (all atoms) and the p...

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Autores principales: Sreenivasa, S., ManojKumar, K.E., Suchetan, P.A., Srinivasan, T., Palakshamurthy, B. S., Velmurgan, D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588967/
https://www.ncbi.nlm.nih.gov/pubmed/23476203
http://dx.doi.org/10.1107/S1600536812046533
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author Sreenivasa, S.
ManojKumar, K.E.
Suchetan, P.A.
Srinivasan, T.
Palakshamurthy, B. S.
Velmurgan, D.
author_facet Sreenivasa, S.
ManojKumar, K.E.
Suchetan, P.A.
Srinivasan, T.
Palakshamurthy, B. S.
Velmurgan, D.
author_sort Sreenivasa, S.
collection PubMed
description In the title mol­ecular salt, C(12)H(22)N(5) (+)·Cl(−), the cation is protonated at the dimethyl-substituted tertiary N atom. The piperidine ring adopts a chair conformation with the exocyclic N—C bond in an equatorial orientation. The dihedral angle between the piperidine ring (all atoms) and the pyrimidine ring is 14.00 (1)°. In the crystal, the ions are connected by N—H⋯N hydrogen bonds, forming inversion dimers, which are further connected by N—H⋯Cl hydrogen bonds. Aromatic π–π stacking inter­actions [centroid–centroid separation = 3.4790 (9) Å] are also observed in the structure.
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spelling pubmed-35889672013-03-08 1-(2-Amino-6-methyl­pyrimidin-4-yl)-N,N-dimethyl­piperidin-4-aminium chloride Sreenivasa, S. ManojKumar, K.E. Suchetan, P.A. Srinivasan, T. Palakshamurthy, B. S. Velmurgan, D. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecular salt, C(12)H(22)N(5) (+)·Cl(−), the cation is protonated at the dimethyl-substituted tertiary N atom. The piperidine ring adopts a chair conformation with the exocyclic N—C bond in an equatorial orientation. The dihedral angle between the piperidine ring (all atoms) and the pyrimidine ring is 14.00 (1)°. In the crystal, the ions are connected by N—H⋯N hydrogen bonds, forming inversion dimers, which are further connected by N—H⋯Cl hydrogen bonds. Aromatic π–π stacking inter­actions [centroid–centroid separation = 3.4790 (9) Å] are also observed in the structure. International Union of Crystallography 2012-11-17 /pmc/articles/PMC3588967/ /pubmed/23476203 http://dx.doi.org/10.1107/S1600536812046533 Text en © Sreenivasa et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Sreenivasa, S.
ManojKumar, K.E.
Suchetan, P.A.
Srinivasan, T.
Palakshamurthy, B. S.
Velmurgan, D.
1-(2-Amino-6-methyl­pyrimidin-4-yl)-N,N-dimethyl­piperidin-4-aminium chloride
title 1-(2-Amino-6-methyl­pyrimidin-4-yl)-N,N-dimethyl­piperidin-4-aminium chloride
title_full 1-(2-Amino-6-methyl­pyrimidin-4-yl)-N,N-dimethyl­piperidin-4-aminium chloride
title_fullStr 1-(2-Amino-6-methyl­pyrimidin-4-yl)-N,N-dimethyl­piperidin-4-aminium chloride
title_full_unstemmed 1-(2-Amino-6-methyl­pyrimidin-4-yl)-N,N-dimethyl­piperidin-4-aminium chloride
title_short 1-(2-Amino-6-methyl­pyrimidin-4-yl)-N,N-dimethyl­piperidin-4-aminium chloride
title_sort 1-(2-amino-6-methyl­pyrimidin-4-yl)-n,n-dimethyl­piperidin-4-aminium chloride
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588967/
https://www.ncbi.nlm.nih.gov/pubmed/23476203
http://dx.doi.org/10.1107/S1600536812046533
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AT velmurgand 12amino6methylpyrimidin4ylnndimethylpiperidin4aminiumchloride

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