Based on crystal plastic theory, a novel thermomechanical constitutive model was proposed for Sn-rich solder. Material parameters of the proposed constitutive model were determined by fitting the stress-strain curves under uniaxial tensile testings. Combined with the proposed model and the material parameters, crystal plastic finite element method was used to investigate the effects of the microstructure features of grain orientation, grain boundary, and intermetallic compound on the fatigue behaviors of Sn-rich solder joint under the condition of thermal cycle loading. Results showed that the mean absolute percentage error between the simulation and experimental tensile curves was 3.50%, and the three microstructure features affected the fatigue behaviors of Sn-rich solder from different aspects, which were analyzed in detail. Besides, it was concluded that the proposed constitutive model could be effectively used to investigate the fatigue behaviors of Sn-rich solder joint from micro perspective.