Abstract
In the title compound, C10H13N5, the piperidine ring adopts a chair conformation with the exocyclic N-C bond in an axial orientation, and the dihedral angle between the mean planes of piperidine and pyrimidine rings is 49.57 (11)°. A short intra-molecular C-H⋯N contact generates an S(7) ring. In the crystal, N-H⋯N hydrogen bonds link the mol-ecules into (100) sheets and a weak aromatic π-π stacking inter-action is observed [centroid-centroid separation = 3.5559 (11) Å] between inversion-related pyrimidine rings.
Highlights
In the title compound, C10H13N5, the piperidine ring adopts a chair conformation with the exocyclic N—C bond in an axial orientation, and the dihedral angle between the mean planes of piperidine and pyrimidine rings is 49.57 (11)
Pyrimidine derivatives exhibit a broad spectrum of biological activities such as GPR119 agonists (Fang et al, 2019), VEGFR-2 tyrosine kinase inhibitors (Sun et al, 2018) and antitumor activity (Hassan et al, 2017)
As part of our studies in this area, we describe the synthesis and structure of the title compound
Summary
Pyrimidine derivatives exhibit a broad spectrum of biological activities such as GPR119 agonists (Fang et al, 2019), VEGFR-2 tyrosine kinase inhibitors (Sun et al, 2018) and antitumor activity (Hassan et al, 2017). The title compound crystallizes with one molecule in the asymmetric unit (Fig. 1). The piperidine ring adopts a chair conformation, with atoms N3 and C7 displaced from the mean plane of the other four atoms (C5/C6/C8/C9) by À0.2472 (2) and 0.2133 (3) A , respectively. The exocyclic N3—C4 bond has an axial orientation and the dihedral angle between the piperidine ring mean plane (all atoms) and the pyrimidine ring is 49.57 (11). N4—H4AÁ Á ÁN1 hydrogen bonds (Table 1) link the molecules into inversion dimers characterized by an R22(8) graph set motif (Fig. 2) and N4—H4BÁ Á ÁN5 hydrogen bonds link the dimers into (100) sheets. The packing features – stacking interactions between inversion-related pyrimidine rings at a centroid–centroid distance of 3.5559 (11) A (Fig. 3)
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