6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine

Base Information

• Chemical Name: 6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine
• CAS No.: 118344-67-5
• Molecular Formula: C13H16N6O2
• Molecular Weight: 288.309
• ChEMBL ID: CHEMBL310062
• DSSTox Substance ID: DTXSID10404757
• Nikkaji Number: J239.841I
• NSC Number: 382034
• Wikidata: Q82209082
• Mol file: 118344-67-5.mol

Synonyms:118344-67-5;6-ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine;CHEMBL310062;6-Ethyl-5-(4-(methylamino)-3-nitrophenyl)pyrimidine-2,4-diamine;NSC382034;Neuro_000219;SCHEMBL8588709;DTXSID10404757;UEBWOKUSTFIFOC-UHFFFAOYSA-N;BDBM50405809;NSC-382034;NCI60_003642;2, 6-ethyl-5-[4-(methylamino)- 3-nitrophenyl]-;2,4-Diamino-5-(4-methylamino-3-nitrophenyl)-6-ethylpyrimidine

Chemical Property of 6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 288.13347377
• Heavy Atom Count: 21
• Complexity: 363

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Technology Process of 6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine

There total 3 articles about 6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-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: 92.0%

2,4-diamino-5-(4-chloro-3-nitrophenyl)-6-ethylpyrimidine (21813-35-4) + methylamine (74-89-5) → 2,4-diamino-5-<4'-(N-methylamino)-3'-nitrophenyl>-6-ethylpyrimidine (118344-67-5)

Guidance literature:

In water; for 48h; Heating;

DOI:10.1021/jm00131a009

Reference yield: 92.0%

→ 2,4-diamino-5-<4'-(N-methylamino)-3'-nitrophenyl>-6-ethylpyrimidine (118344-67-5)

Guidance literature:

Reference yield: 87.0%

2,4-diamino-5-(4-chloro-3-nitrophenyl)-6-ethylpyrimidine (21813-35-4) + 4-<(methylamino)methyl>benzoic acid (96084-38-7) → 2,4-diamino-5-<4'-(N-methylamino)-3'-nitrophenyl>-6-ethylpyrimidine (118344-67-5)

Guidance literature:

With triethylamine; In various solvent(s); at 100 ℃; for 2h;

DOI:10.1021/jm970055k

upstream raw materials:

2,4-diamino-5-(4-chloro-3-nitrophenyl)-6-ethylpyrimidine

methylamine

4-<(methylamino)methyl>benzoic acid

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