4-(4-Fluoronaphthalen-1-yl)-6-isopropylpyrimidin-2-amine maleate

• Catalog: OFC199864885
• CAS: 199864-88-5
• Category: Fluorinated Pyrimidines
• Synonyms: RS-127445 maleate; Z)-but-2-enedioic acid;4-(4-fluoronaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine
• Purity: 98+%
• MDL Number: MFCD21337892

• IUPAC Name: (Z)-but-2-enedioic acid;4-(4-fluoronaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine
• InChI: InChI=1S/C17H16FN3.C4H4O4/c1-10(2)15-9-16(21-17(19)20-15)13-7-8-14(18)12-6-4-3-5-11(12)13;5-3(6)1-2-4(7)8/h3-10H,1-2H3,(H2,19,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1-
• InChI Key: AECBQAYOWYGGEP-BTJKTKAUSA-N
• Isomeric SMILES: CC(C)C1=NC(=NC(=C1)C2=CC=C(C3=CC=CC=C32)F)N.C(=C\C(=O)O)\C(=O)O

• Molecular Formula: C21H20FN3O4
• Molecular Weight: 397.40
• Storage: Inert atmosphere, 2-8°C

• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 397.14378429 g/mol
• Monoisotopic Mass: 397.14378429 g/mol
• Topological Polar Surface Area: 126Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 468