5-(2-Bromo-5-fluorophenoxy)pyrimidine-2,4-diamine

• Catalog: OFC935534206
• CAS: 935534-20-6
• Category: Fluorinated Pyrimidines
• MDL Number: MFCD09261189

• IUPAC Name: 5-(2-bromo-5-fluorophenoxy)pyrimidine-2,4-diamine
• InChI: InChI=1S/C10H8BrFN4O/c11-6-2-1-5(12)3-7(6)17-8-4-15-10(14)16-9(8)13/h1-4H,(H4,13,14,15,16)
• InChI Key: FMMIFFPYKIEWRV-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=C(C=C1F)OC2=CN=C(N=C2N)N)Br

• Molecular Formula: C10H8BrFN4O
• Molecular Weight: 299.10

• XLogP3-AA: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 297.98655 g/mol
• Monoisotopic Mass: 297.98655 g/mol
• Topological Polar Surface Area: 87Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 261