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Basic Information
CAS No.: 4401-71-2
Name: 1,3-DIMETHYLTHYMINE
Molecular Structure:
Molecular Structure of 4401-71-2 (1,3-DIMETHYLTHYMINE)
Formula: C7H10N2O2
Molecular Weight: 154.169
Synonyms: Uracil,1,3,5-trimethyl- (6CI,7CI,8CI);1,3,5-Trimethyluracil;1,3-Dimethylthymine;N,N'-Dimethylthymine;N1,N3-Dimethylthymine;
Density: 1.16 g/cm3
Melting Point: 153 °C
Boiling Point: 222.1 °C at 760 mmHg
Flash Point: 87.8 °C
PSA: 44.00000
LogP: -0.60760
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Specification

The 2,4(1H,3H)-Pyrimidinedione,1,3,5-trimethyl-, also known as 1,3-Dimethylthymine, is an organic compound with the formula C7H10N2O2. With the CAS registry number 4401-71-2, its IUPAC name is 1,3,5-trimethylpyrimidine-2,4-dione.

Physical properties of 2,4(1H,3H)-Pyrimidinedione,1,3,5-trimethyl-: (1)ACD/LogP: 0.99; (2)ACD/LogD (pH 5.5): 0.99; (3)ACD/LogD (pH 7.4): 0.99; (4)ACD/BCF (pH 5.5): 3.31; (5)ACD/BCF (pH 7.4): 3.31; (6)ACD/KOC (pH 5.5): 81.93; (7)ACD/KOC (pH 7.4): 81.93; (8)#H bond acceptors: 4; (9)Index of Refraction: 1.507; (10)Molar Refractivity: 39.56 cm3; (11)Molar Volume: 132.8 cm3; (12)Surface Tension: 36.9 dyne/cm; (13)Density: 1.16 g/cm3; (14)Flash Point: 87.8 °C; (15)Enthalpy of Vaporization: 45.85 kJ/mol; (16)Boiling Point: 222.1 °C at 760 mmHg; (17)Vapour Pressure: 0.104 mmHg at 25°C.

Preparation of 2,4(1H,3H)-Pyrimidinedione,1,3,5-trimethyl-: this chemical can be prepared by 1,3,4a,4b,6,8-hexamethyl-hexahydro-cyclobuta[1,2-d;4,3-d']dipyrimidine-2,4,5,7-tetraone. This reaction will need reagent 0.005 M 5-deazariboflavin and solvent H2O. The reaction time is 10 hours. The yield is about 51%.

2,4(1H,3H)-Pyrimidinedione,1,3,5-trimethyl- can be prepared by 1,3,4a,4b,6,8-hexamethyl-hexahydro-cyclobuta[1,2-d;4,3-d']dipyrimidine-2,4,5,7-tetraone

Uses of 2,4(1H,3H)-Pyrimidinedione,1,3,5-trimethyl-: it can be used to produce 2-hydroxy-5-methyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid amide with malonamide. The yield is about 65%.

2,4(1H,3H)-Pyrimidinedione,1,3,5-trimethyl- can be used to produce 2-hydroxy-5-methyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid amide with malonamide

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CN(C(=O)N(C1=O)C)C
(2)InChI: InChI=1S/C7H10N2O2/c1-5-4-8(2)7(11)9(3)6(5)10/h4H,1-3H3
(3)InChIKey: BHWQEVXICGSHEW-UHFFFAOYSA-N