5-ACETYL-2-AMINO-4-METHYLPYRIMIDINE

The CAS register number of Ethanone,1-(2-amino-4-methyl-5-pyrimidinyl)- is 66373-25-9. It also can be called as Ethanone, 1-(2-amino-4-methyl-5-pyrimidinyl)- (9CI) and the systematic name about this chemical is 1-(2-amino-4-methylpyrimidin-5-yl)ethanone. The molecular formula about this chemical is C₇H₉N₃O and the molecular weight is 151.17. It belongs to the following product categorie which include Acetylgroup.

Physical properties about Ethanone,1-(2-amino-4-methyl-5-pyrimidinyl)- are: (1) ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 16.07; (4)ACD/KOC (pH 7.4): 16.09; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 46.09 Å²; (9)Index of Refraction: 1.573; (10)Molar Refractivity: 41.52 cm³; (11)Molar Volume: 125.9 cm³; (12)Polarizability: 16.46x10^-24cm³; (13)Surface Tension: 55.7 dyne/cm; (14)Density: 1.2 g/cm³; (15)Flash Point: 169.2 °C; (16)Enthalpy of Vaporization: 60.14 kJ/mol; (17)Boiling Point: 356.2 °C at 760 mmHg; (18)Vapour Pressure: 2.98E-05 mmHg at 25 °C.

Preparation: this chemical can be prepared by 3-dimethylaminomethylenepentane-2,4-dione with guanidine; acetate. This reaction will need reagent of sodium ethoxide and solvent of ethanol. The reaction time is 1 hour. This reaction needs heating. The yield is about 95%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use this chemical, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cnc(nc1C)N)C
(2)InChI: InChI=1/C7H9N3O/c1-4-6(5(2)11)3-9-7(8)10-4/h3H,1-2H3,(H2,8,9,10)
(3)InChIKey: LWZQQJIAMSDELT-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H9N3O/c1-4-6(5(2)11)3-9-7(8)10-4/h3H,1-2H3,(H2,8,9,10)
(5)Std. InChIKey: LWZQQJIAMSDELT-UHFFFAOYSA-N