2-Chloro-N-ethyl-9-isopropyl-9H-purin-6-amine

In the title compound, C10H14ClN5, the purine ring system is essentially planar, with an r.m.s. deviation from the least-squares plane defined by the nine constituent atoms of 0.0063 (11) Å. In the crystal, molecules are linked by weak N—H⋯N and C—H⋯π interactions.

In the title compound, C 10 H 14 ClN 5 , the purine ring system is essentially planar, with an r.m.s. deviation from the leastsquares plane defined by the nine constituent atoms of 0.0063 (11) Å . In the crystal, molecules are linked by weak N-HÁ Á ÁN and C-HÁ Á Á interactions.
Cg1 is the center of gravity of the pyridine ring (C1/N1/C2-C4/ N2).  The wide range of biological activities of di-, tri-, or tetrasubstituted purines is closely associated with essentially unlimited number of substituents that can be combined in the C2, C6, C8 and N9 positions of the purine ring (Legraverend & Grierson, 2006). The title molecule has been prepared as a part of our ongoing study of novel 2,6,9-trisubstituted purine series (Rouchal et al., 2009a(Rouchal et al., ,b, 2010. To the best of our knowledge, the title compound has not been described in the literature so far.

D-HÁ
In the title molecule ( Fig. 1), the purine unit is essentially planar, with a r.m.s. deviation of 0.0063 (11) Å from the leastsquares plane defined by the nine constituent atoms. Although all pyrimidine atoms lie essentially in plane, the ring is markedly deformed from regular hexagon geometry with N1-C2-N3 angle of 132.0 (11)°. In the crystal structure ( Fig. 2), molecules are connected by weak intermolecular N-H···N and C-H···π interactions (Table 1).
Subsequently, the mixture was diluted with water and extracted with ethyl acetate (6 × 10 cm 3 ). Combined organic layers were washed twice with brine, dried over Na 2 SO 4 and evaporated in vacuum. Crystallization of the crude product from diethyl ether at room temperature provided desired compound as colorless crystals (67 mg, 65%, mp 390-393 K) suitable for X-ray diffraction analysis.

Refinement
All carbon bound H atoms were placed at calculated positions and were refined as riding with their U iso set to either 1.2U eq or 1.5U eq (methyl) of the respective carrier atoms. The positions of methyl H atoms were optimized rotationally.