(E)-1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]but-3-en-2-one

Base Information

• Chemical Name: (E)-1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]but-3-en-2-one
• CAS No.: 15422-33-0
• Molecular Formula: C21H19 Cl2 N5 O
• Molecular Weight: 428.3145
• NSC Number: 212463
• DSSTox Substance ID: DTXSID60420341
• Wikidata: Q82231588
• Mol file: 15422-33-0.mol

Synonyms:NSC212463;15422-33-0;DTXSID60420341;NSC-212463

Chemical Property of (E)-1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]but-3-en-2-one

Chemical Property:

• Vapor Pressure: 2.81E-20mmHg at 25°C
• Boiling Point: 714.7°Cat760mmHg
• Flash Point: 386.1°C
• PSA: 106.92000
• Density: 1.409g/cm³
• LogP: 5.63000
• XLogP3: 4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 427.0966656
• Heavy Atom Count: 29
• Complexity: 547

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CC(=O)CCl)NCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)Cl
• Isomeric SMILES: C1=CC(=CC=C1/C=C/C(=O)CCl)NCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)Cl