6-AMINO-1,3-DIMETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBALDEHYDE

The 5-Pyrimidinecarboxaldehyde,6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-, with the CAS registry number 54660-80-9, is also known as 6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde. This chemical's molecular formula is C₇H₉N₃O₃ and molecular weight is 183.16. What's more, its IUPAC name is called 4-Amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbaldehyde.

Physical properties about 5-Pyrimidinecarboxaldehyde,6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo- are: (1)ACD/LogP: 0.093; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.09; (4)ACD/LogD (pH 7.4): 0.09; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 26.69; (8)ACD/KOC (pH 7.4): 26.77; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 83.71 Å²; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 45.015 cm³; (15)Molar Volume: 124.984 cm³; (16)Polarizability: 17.845×10^-24cm³; (17)Surface Tension: 70.79 dyne/cm; (18)Density: 1.465 g/cm³; (19)Flash Point: 178.089 °C; (20)Enthalpy of Vaporization: 61.781 kJ/mol; (21)Boiling Point: 370.858 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of 5-Pyrimidinecarboxaldehyde,6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-: this chemical can be prepared by 6-amino-1,3-dimethyl-1H-pyrimidine-2,4-dione with N,N-dimethyl-formamide. This reaction needs reagent POCl₃ and solvent at temperature of 100 °C. The reaction time is 1 hour. The yield is 90 %.

Uses of 5-Pyrimidinecarboxaldehyde,6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-: it is used to produce other chemicals. For example, it can react with 1,3-dimethyl-pyrimidine-2,4,6-trione to get 1,3,7,9-tetramethyl-1H,9H-pyrido[2,3-d;6,5-d']dipyrimidine-2,4,6,8-tetraone. The reaction occurs with reagents pyridine, piperidine and other condition of heating for 48 hours. The yield is 46 %.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1N(/C(=C(\C(=O)N1C)C=O)N)C
(2) InChI: InChI=1S/C7H9N3O3/c1-9-5(8)4(3-11)6(12)10(2)7(9)13/h3H,8H2,1-2H3
(3) InChIKey: LGXGZORRPBTMAO-UHFFFAOYSA-N