2-AMINO-6-(DIETHOXYMETHYL)-4(1H)-PYRIMIDINONE

The 4(3H)-Pyrimidinone,2-amino-6-(diethoxymethyl)- is an organic compound with the formula C₉H₁₅N₃O₃. The IUPAC name of this chemical is 2-amino-6-(diethoxymethyl)-1H-pyrimidin-4-one. With the CAS registry number 78711-26-9, it is also named as 2-Amino-6-(diethoxymethyl)-4(1H)-pyrimidinone.

Physical properties about 4(3H)-Pyrimidinone,2-amino-6-(diethoxymethyl)- are: (1)ACD/LogP: 1.02; (2)ACD/LogD (pH 5.5): 1.02; (3)ACD/LogD (pH 7.4): 1.02; (4)ACD/BCF (pH 5.5): 3.51; (5)ACD/BCF (pH 7.4): 3.48; (6)ACD/KOC (pH 5.5): 85.39; (7)ACD/KOC (pH 7.4): 84.61; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 54.37 Å²; (12)Index of Refraction: 1.557; (13)Molar Refractivity: 52.75 cm³; (14)Molar Volume: 163.7 cm³; (15)Polarizability: 20.91×10^-24cm³; (16)Surface Tension: 44.4 dyne/cm; (17)Density: 1.3 g/cm³; (18)Flash Point: 146.3 °C; (19)Enthalpy of Vaporization: 55.97 kJ/mol; (20)Boiling Point: 318.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000365 mmHg at 25°C.

Uses of 4(3H)-Pyrimidinone,2-amino-6-(diethoxymethyl)-: it can be used to produce 2-acetamido-6-(diethoxymethyl)pyrimidin-4(3H)-one by heating. The reaction time is 4 hours. The yield is about 58.5%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1/N=C(\N\C(=C\1)C(OCC)OCC)N
(2)InChI: InChI=1/C9H15N3O3/c1-3-14-8(15-4-2)6-5-7(13)12-9(10)11-6/h5,8H,3-4H2,1-2H3,(H3,10,11,12,13)
(3)InChIKey: WTKUYFGMUPEUJQ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H15N3O3/c1-3-14-8(15-4-2)6-5-7(13)12-9(10)11-6/h5,8H,3-4H2,1-2H3,(H3,10,11,12,13)
(5)Std. InChIKey: WTKUYFGMUPEUJQ-UHFFFAOYSA-N