N-(4-Fluoro-2-methoxy-5-nitrophenyl)-4-(1-methyl-1H-indol-3-yl)pyrimidin-2-amine

• Catalog: OFC1421372942
• CAS: 1421372-94-2
• Category: Fluorinated Pyrimidines
• Synonyms: N-(4-Fluoro-2-methoxy-5-nitrophenyl)-4-(1-methyl-1H-indol-3-yl)-2-pyrimidinamine
• Purity: 95%
• MDL Number: MFCD28167946

• IUPAC Name: N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine
• InChI: InChI=1S/C20H16FN5O3/c1-25-11-13(12-5-3-4-6-17(12)25)15-7-8-22-20(23-15)24-16-10-18(26(27)28)14(21)9-19(16)29-2/h3-11H,1-2H3,(H,22,23,24)
• InChI Key: SZTYQQYYIMVETL-UHFFFAOYSA-N
• Isomeric SMILES: CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=CC(=C(C=C4OC)F)[N+](=O)[O-]

• Molecular Formula: C20H16FN5O3
• Molecular Weight: 393.37
• Storage: Keep in dark place, sealed in dry, 2-8 °C

• XLogP3-AA: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 393.12371755 g/mol
• Monoisotopic Mass: 393.12371755 g/mol
• Topological Polar Surface Area: 97.8Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 579