Description

6-Chloro-3-methylpyrimidine-2,4(1H,3H)-dione (CAS No. 4318-56-3) is a high-purity heterocyclic organic compound with the molecular formula C₅H₅ClN₂O₂. This white to off-white crystalline powder is a chlorinated derivative of uracil, widely utilized in pharmaceutical research, agrochemical synthesis, and as a key intermediate in nucleoside chemistry. With a molecular weight of 160.56 g/mol, it offers excellent solubility in polar organic solvents such as DMSO and methanol, making it ideal for laboratory-scale reactions. Our product is rigorously tested via HPLC, NMR, and mass spectrometry to ensure ≥98% purity, meeting the stringent requirements of medicinal chemistry and biochemical applications. Proper storage at 2-8°C in a tightly sealed container ensures long-term stability.

Properties

• CAS Number: 4318-56-3
• Complexity: 224
• IUPAC Name: 6-chloro-3-methyl-1H-pyrimidine-2,4-dione
• InChI: InChI=1S/C5H5ClN2O2/c1-8-4(9)2-3(6)7-5(8)10/h2H,1H3,(H,7,10)
• InChI Key: SGLXGFAZAARYJY-UHFFFAOYSA-N
• Exact Mass: 160.0039551
• Molecular Formula: C5H5ClN2O2
• Molecular Weight: 160.56
• SMILES: CN1C(=O)C=C(NC1=O)Cl
• Topological: 49.4
• Monoisotopic Mass: 160.0039551
• Synonyms: 6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione, 6-Chloro-3-methylpyrimidine-2,4[1H,3H]-dione, 610-113-2, 6-Chloro-3-methyluracil, 4318-56-3, 3-Methyl-6-chlorouracil, 6-chloro-3-methyl-1H-pyrimidine-2,4-dione, 2,4(1H,3H)-Pyrimidinedione, 6-chloro-3-methyl-, 6-chloro-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione, MFCD01074837, AYQ4JL346J, 6-Chloro-3-methyl-2,4(1H,3H)-pyrimidinedione, NSC-55976, Alogliptin intermediate, Alogliptin impurity 86, Trelagliptin intermediate, 6-CHLORO-2-HYDROXY-3-METHYL-3,4-DIHYDROPYRIMIDIN-4-ONE, 3-Methyl-6-chlorouracil; 6-Chloro-3-methylpyrimidine-2,4(1H,3H)-dione; 6-Chloro-3-methylpyrimidine-2,4-dione; 6-Chloro-3-methyluracil; 6-Chloro-3-methyl-2,4(1H,3H)-pyrimidinedione;, NSC55976, NSC 55976, 6-Chloro-3-methyl uracil, UNII-AYQ4JL346J, MLS000723901, SCHEMBL220198, Uracil, 6-chloro-3-methyl-, CHEMBL1556752, SCHEMBL21653786, DTXSID00195763, CHEBI:189258, HMS2629J15, ALBB-012145, BCP27871, 6-Chloro-3-methyluracil, >=98%, GEO-00748, MFCD00829289, STK177274, AKOS000264936, AC-8826, CS-W020095, FC03857, MS-1869, SB37175, NCGC00245854-01, SMR000305496, SY002003, DB-026388, C2300, NS00031319, EN300-189212, F11245, AB-323/25048121, 6-Chloro-3-methyl-2,4(1H,3H)-pyrimidinedione #, F8885-4682, 3-Methyl-6-chlorouracil;6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione

Application

6-Chloro-3-methylpyrimidine-2,4(1H,3H)-dione serves as a critical building block in the synthesis of antiviral and antitumor nucleoside analogs. Researchers employ it in modified uracil studies for DNA/RNA interaction investigations. The compound also finds use in developing herbicides and plant growth regulators due to its pyrimidine backbone. Its reactivity at the C5 position enables further functionalization for targeted drug discovery projects.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (96%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (96%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.