4-Pyrimidinamine,6-methoxy-2-(methylthio)- (3289-53-0)

The 4-Amino-6-methoxy-2-(methylthio)pyrimidine is an organic compound with the formula C₆H₉N₃OS. The systematic name of this chemical is 6-methoxy-2-(methylsulfanyl)pyrimidin-4-amine. The product's categories are Chemical Amines; Amines; Bases & Related Reagents; Heterocycles; Nucleotides; Sulfur & Selenium Compounds. With the CAS registry number 3289-53-0, it is a pale yellow crystalline solid.

Physical properties about 4-Amino-6-methoxy-2-(methylthio)pyrimidine are: (1)ACD/LogP: -0.37; (2)ACD/LogD (pH 5.5): -0.38; (3)ACD/LogD (pH 7.4): -0.37; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 14.73; (7)ACD/KOC (pH 7.4): 14.91; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 63.55 Å²; (12)Index of Refraction: 1.597; (13)Molar Refractivity: 44.97 cm³; (14)Molar Volume: 131.9 cm³; (15)Polarizability: 17.82×10^-24cm³; (16)Surface Tension: 64.3 dyne/cm; (17)Density: 1.29 g/cm³; (18)Flash Point: 170 °C; (19)Enthalpy of Vaporization: 60.28 kJ/mol; (20)Boiling Point: 357.4 °C at 760 mmHg; (21)Vapour Pressure: 2.73E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S(c1nc(N)cc(OC)n1)C
(2)InChI: InChI=1/C6H9N3OS/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3,(H2,7,8,9)
(3)InChIKey: FBAYMIJHPUCRMU-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C6H9N3OS/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3,(H2,7,8,9)
(5)Std. InChIKey: FBAYMIJHPUCRMU-UHFFFAOYSA-N