4-ETHYL-6-HYDROXY-2-METHYLPYRIMIDINE

The 4(3H)-Pyrimidinone,6-ethyl-2-methyl-, with CAS registry number 52421-75-7, is also named as 4-pyrimidinol, 6-ethyl-2-methyl-. Its molecular formula is C₇H₁₀N₂O and its systematic name is 6-ethyl-2-methylpyrimidin-4-ol. Additionally, it belongs to the product category Pyrimidine.

Physical properties of 4(3H)-Pyrimidinone,6-ethyl-2-methyl- are: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 6.7; (6)ACD/KOC (pH 7.4): 6.58; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 46.01 Å²; (11)Index of Refraction: 1.539; (12)Molar Refractivity: 38.69 cm³; (13)Molar Volume: 123.4 cm³; (14)Polarizability: 15.33×10^-24cm³; (15)Surface Tension: 48 dyne/cm; (16)Density: 1.119 g/cm³; (17)Flash Point: 104.5 °C; (18)Enthalpy of Vaporization: 50.62 kJ/mol; (19)Boiling Point: 249.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0147 mmHg at 25°C.

Preparation of the 4(3H)-Pyrimidinone,6-ethyl-2-methyl-: It can be prepared by 3-aceatmido-2-pentenamide. This reaction will need reagent sodium methoxide and solvent methanol. The reaction time is 1.5 hours. Moreover, its yield is about 86 %.

Uses of the 4(3H)-Pyrimidinone,6-ethyl-2-methyl-: It can be used to produce 4-chloro-6-ethyl-2-methyl-pyrimidine. This reaction will need reagent POCl₃. The reaction time is 2 hours and its yield is about 41 %.

You can still convert the following datas into molecular structure:
(1)SMILES: CCc1cc(O)nc(C)n1
(2)InChI: InChI=1/C7H10N2O/c1-3-6-4-7(10)9-5(2)8-6/h4H,3H2,1-2H3,(H,8,9,10)
(3)InChIKey: VDXKPQUYEALWON-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C7H10N2O/c1-3-6-4-7(10)9-5(2)8-6/h4H,3H2,1-2H3,(H,8,9,10)
(5)Std. InChIKey: VDXKPQUYEALWON-UHFFFAOYSA-N