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4-Amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbaldehyde

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Name

4-Amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbaldehyde

EINECS N/A
CAS No. 54660-80-9 Density 1.465 g/cm3
PSA 87.09000 LogP -0.94010
Solubility N/A Melting Point 199℃
Formula C7H9N3O3 Boiling Point 370.858 °C at 760 mmHg
Molecular Weight 183.167 Flash Point 178.089 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 54660-80-9 (6-AMINO-1,3-DIMETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBALDEHYDE) Hazard Symbols N/A
Synonyms

5-Pyrimidinecarboxaldehyde,4-amino-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo- (6CI);6-Amino-5-formyl-1,3-dimethyluracil;NSC 163561;

Article Data 1

4-Amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbaldehyde Specification

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 %.

5-Pyrimidinecarboxaldehyde,6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo- can be prepared by 6-amino-1,3-dimethyl-1H-pyrimidine-2,4-dione with N,N-dimethyl-formamide

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 %.

5-Pyrimidinecarboxaldehyde,6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo- 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.

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

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