N-[4-[[4-(Chloromethyl)benzoyl]amino]-2-methylphenyl]-4-(3-pyridyl)-2-pyrimidineamine

Base Information

• Chemical Name: N-[4-[[4-(Chloromethyl)benzoyl]amino]-2-methylphenyl]-4-(3-pyridyl)-2-pyrimidineamine
• CAS No.: 796738-74-4
• Molecular Formula: C₂₄H₂₀ClN₅O
• Molecular Weight: 429.909
• DSSTox Substance ID: DTXSID80700738
• Wikidata: Q82632193
• Mol file: 796738-74-4.mol

Synonyms:796738-74-4;N-[4-[[4-(CHLOROMETHYL)BENZOYL]AMINO]-2-METHYLPHENYL]-4-(3-PYRIDYL)-2-PYRIMIDINEAMINE;4-(chloromethyl)-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;SCHEMBL3860520;DTXSID80700738;WWUHMRAFZSYAQR-UHFFFAOYSA-N;4-(Chloromethyl)-N-[3-methyl-4-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide;FT-0664774;4-(Chloromethyl)-N-(3-methyl-4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide

Chemical Property of N-[4-[[4-(Chloromethyl)benzoyl]amino]-2-methylphenyl]-4-(3-pyridyl)-2-pyrimidineamine

Chemical Property:

• PKA: 12.88±0.70(Predicted)
• PSA: 83.29000
• Density: 1.329±0.06 g/cm3(Predicted)
• LogP: 6.03870
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Sparingly), Methanol (Sparingly)
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 429.1356380
• Heavy Atom Count: 31
• Complexity: 570

Purity/Quality:

97% ^*data from raw suppliers

N-[4-[[4-(Chloromethyl)benzoyl]amino]-2-methylphenyl]-4-(3-pyridyl)-2-pyrimidineamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CCl)NC3=NC=CC(=N3)C4=CN=CC=C4
• Uses: Intermediate in the preparation of Imatinib impurities. It is a COVID19-related research product.

Technology Process of N-[4-[[4-(Chloromethyl)benzoyl]amino]-2-methylphenyl]-4-(3-pyridyl)-2-pyrimidineamine

There total 1 articles about N-[4-[[4-(Chloromethyl)benzoyl]amino]-2-methylphenyl]-4-(3-pyridyl)-2-pyrimidineamine 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:

→ N-(4-(4-chloromethylbenzoylamino)-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidine-amine (796738-74-4)

Guidance literature: