6-Amino-1-benzyl-3-methylpyrimidine-2,4(1H,3H)-dione

Base Information

• Chemical Name: 6-Amino-1-benzyl-3-methylpyrimidine-2,4(1H,3H)-dione
• CAS No.: 53681-51-9
• Molecular Formula: C12H13N3O2
• Molecular Weight: 231.10
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID80364697
• Nikkaji Number: J2.116.018K
• Wikidata: Q82148792
• ChEMBL ID: CHEMBL1325965
• Mol file: 53681-51-9.mol

Synonyms:53681-51-9;6-Amino-1-benzyl-3-methylpyrimidine-2,4(1H,3H)-dione;6-amino-1-benzyl-3-methylpyrimidine-2,4-dione;CC-PMLSC-DMA-P136;6-amino-1-benzyl-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione;SMR000209007;MLS000889039;CHEMBL1325965;BDBM35461;cid_1649246;DTXSID80364697;1-Benzyl-3-methyl-6-aminouracil;HMS1723L09;HMS2205M22;HMS3342B02;MFCD03480188;AKOS000115979;CCG-295194;DS-6585;SB60541;SDCCGMLS-0091907.P001;NCGC00142314-01;CS-0132156;EN300-02902;C75515;SR-01000034135;6-amino-1-benzyl-3-methyl-pyrimidine-2,4-quinone;SR-01000034135-1;Z56839989;6-amino-3-methyl-1-(phenylmethyl)pyrimidine-2,4-dione;6-azanyl-3-methyl-1-(phenylmethyl)pyrimidine-2,4-dione

Chemical Property of 6-Amino-1-benzyl-3-methylpyrimidine-2,4(1H,3H)-dione

Chemical Property:

• Vapor Pressure: 7.88E-06mmHg at 25°C
• Melting Point: 96 - 98 °C
• Refractive Index: 1.621
• Boiling Point: 375.3 °C at 760 mmHg
• Flash Point: 180.8 °C
• PSA: 70.02000
• Density: 1.293 g/cm³
• LogP: 0.75870
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 231.100776666
• Heavy Atom Count: 17
• Complexity: 359

Purity/Quality:

97% ^*data from raw suppliers

6-Amino-1-benzyl-3-methylpyrimidine-2,4(1h,3h)-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2)N

Technology Process of 6-Amino-1-benzyl-3-methylpyrimidine-2,4(1H,3H)-dione

There total 2 articles about 6-Amino-1-benzyl-3-methylpyrimidine-2,4(1H,3H)-dione which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

1-benzyl-6-aminouracil (41862-11-7) + dimethyl sulfate (77-78-1) → 6-amino-1-benzyl-3-methyl uracil (53681-51-9)

Guidance literature:

With sodium hydroxide; In water; at 5 - 10 ℃; for 1h;

Reference yield:

N-methyl-N'-benzylurea (6957-05-7) + cyanoacetic acid (372-09-8) → 6-amino-1-benzyl-3-methyl uracil (53681-51-9)

Guidance literature:

With sodium hydroxide; acetic anhydride; Multistep reaction; 1.) 70 deg C, 2 h, 2.) from 20 to 70 deg C, 1 h;

DOI:10.1016/0223-5234(90)90130-U

Reference yield: 100.0%

6-amino-1-benzyl-3-methyl uracil (53681-51-9) → 6-amino-1-benzyl-3-methyl-5-nitroso uracil (132588-35-3)

Guidance literature:

With acetic acid; sodium nitrite; In water; rt, 20 min then 45-50 deg C, 1 h;

upstream raw materials:

N-methyl-N'-benzylurea

cyanoacetic acid

1-benzyl-6-aminouracil

dimethyl sulfate

Downstream raw materials:

6-amino-1-benzyl-3-methyl-5-nitroso uracil

C₁₅H₁₅N₅O₂S