The 2,4(1H,3H)-Pteridinedione,7-amino-1,3-dimethyl-, with the CAS registry number 7464-70-2, has the systematic name of 7-amino-1,3-dimethylpteridine-2,4(1H,3H)-dione. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H9N5O2.
The characteristics of 2,4(1H,3H)-Pteridinedione,7-amino-1,3-dimethyl- are as followings: (1)ACD/LogP: -0.66; (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): 10.39; (6)ACD/KOC (pH 7.4): 10.39; (7)#H bond acceptors: 7; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 69.64 Å2; (11)Index of Refraction: 1.649; (12)Molar Refractivity: 51.04 cm3; (13)Molar Volume: 140 cm3; (14)Polarizability: 20.23×10-24cm3; (15)Surface Tension: 76.7 dyne/cm; (16)Density: 1.478 g/cm3; (17)Flash Point: 240.7 °C; (18)Enthalpy of Vaporization: 73.77 kJ/mol; (19)Boiling Point: 474.4 °C at 760 mmHg; (20)Vapour Pressure: 3.62E-09 mmHg at 25°C.
Uses of 2,4(1H,3H)-Pteridinedione,7-amino-1,3-dimethyl-: It can react with propionaldehyde to produce 7-amino-1,3-dimethyl-6-propionyl-1H-pteridine-2,4-dione. This reaction will need reagent FeSO4.7H2O and tBuOOH, and the menstruum acetic acid, H2O and H2SO4. The reaction time is 10 minutes with ambient temperature, and the yield is about 32%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C2c1ncc(nc1N(C(=O)N2C)C)N
(2)InChI: InChI=1/C8H9N5O2/c1-12-6-5(10-3-4(9)11-6)7(14)13(2)8(12)15/h3H,1-2H3,(H2,9,11)
(3)InChIKey: JPEC-UHFFFAOYAP
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