6-Chloro-n4-methylpyrimidine-2,4-diamine

Base Information

• Chemical Name: 6-Chloro-n4-methylpyrimidine-2,4-diamine
• CAS No.: 1005-37-4
• Molecular Formula: C5H7 Cl N4
• Molecular Weight: 158.59
• Hs Code.: 2933599090
• NSC Number: 36831
• DSSTox Substance ID: DTXSID70905553
• Wikidata: Q82874055
• Mol file: 1005-37-4.mol

Synonyms:6-chloro-n4-methylpyrimidine-2,4-diamine;1005-37-4;6-chloro-4-N-methylpyrimidine-2,4-diamine;6-chloro-N~4~-methylpyrimidine-2,4-diamine;NSC36831;2-amino-4-methylamino-6-chloropyrimidine;2,4-Pyrimidinediamine, 6-chloro-N4-methyl-;SCHEMBL1576582;DTXSID70905553;CXWJDRREGHIEMH-UHFFFAOYSA-N;MFCD02091108;NSC-36831;AKOS005173820;AS-9341;SB57413;2-amino-4-chloro-6-methylaminopyrimidine;6-Chloro-N4-methyl-2,4-pyrimidinediamine;CS-0106540;FT-0683672;C71034;A897409;6-Chloro-N~4~-methylpyrimidine-2,4(1H,3H)-diimine;N-(2-AMINO-6-CHLORO-4-PYRIMIDINYL)-N-METHYLAMINE

Chemical Property of 6-Chloro-n4-methylpyrimidine-2,4-diamine

Chemical Property:

• Vapor Pressure: 7.03E-07mmHg at 25°C
• Boiling Point: 408.4°C at 760 mmHg
• Flash Point: 200.8°C
• PSA: 63.83000
• Density: 1.447g/cm³
• LogP: 1.40810
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 158.0359239
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

97% ^*data from raw suppliers

6-Chloro-N4-methylpyrimidine-2,4-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=CC(=NC(=N1)N)Cl

Technology Process of 6-Chloro-n4-methylpyrimidine-2,4-diamine

There total 4 articles about 6-Chloro-n4-methylpyrimidine-2,4-diamine 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: 91.0%

2-Amino-4,6-dichloropyrimidine (56-05-3) + methylamine (74-89-5) → 2-amino-4-methylamino-6-chloropyrimidine (1005-37-4)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In methanol; butan-1-ol; at 95 ℃;

Reference yield: 88.0%

→ 2-amino-4-methylamino-6-pyrrolidinopyrimidine 3-oxide + 2-amino-4-methylamino-6-chloropyrimidine (1005-37-4)

Guidance literature:

Reference yield: 66.0%

2-Amino-4,6-dichloropyrimidine (56-05-3) + methylamine hydrochloride (593-51-1) → 2-amino-4-methylamino-6-chloropyrimidine (1005-37-4)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In isopropyl alcohol; for 17h; Sealed tube; Inert atmosphere; Heating;

DOI:10.1016/j.bioorg.2021.104813

upstream raw materials:

2-Amino-4,6-dichloropyrimidine

methylamine

methylamine hydrochloride

Downstream raw materials:

6-(2,3-dimethylphenyl)-N⁴-methylpyrimidine-2,4-diamine

6-(2,3-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine