8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[5,1-f][1,3,5]triazin-4-amine

Base Information

• Chemical Name: 8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[5,1-f][1,3,5]triazin-4-amine
• CAS No.: 202578-52-7
• Molecular Formula: C18H21Cl2N5O2
• Molecular Weight: 410.2976
• UNII: WCA5SCC429
• DSSTox Substance ID: DTXSID601108708
• Nikkaji Number: J1.270.802E
• Wikidata: Q27077087
• Pharos Ligand ID: PLBCF8YCU2SK
• ChEMBL ID: CHEMBL44698
• Mol file: 202578-52-7.mol

Synonyms:4-(1,3-dimethoxy-2-propylamino)-2,7-dimethyl-8-(2,4-dichlorophenyl)(1,5-a)pyrazolo-1,3,5-triazine;DMP 696;DMP-696;DMP696

Chemical Property of 8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[5,1-f][1,3,5]triazin-4-amine

Chemical Property:

• Melting Point: 120-121 °C
• PKA: 1.98±0.30(Predicted)
• PSA: 73.57000
• Density: 1.393 g/cm³
• LogP: 3.86120
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 409.1072303
• Heavy Atom Count: 27
• Complexity: 471

Purity/Quality:

99% ^*data from raw suppliers

DMP-696 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN2C(=C1C3=C(C=C(C=C3)Cl)Cl)N=C(N=C2NC(COC)COC)C