(2E)-N-[(1S)-2-[[5-[2-[(4-Cyanophenyl)amino]-4-(propylamino)-5-pyrimidinyl]-4-pentyn-1-yl]amino]-1-methyl-2-oxoethyl]-4-(dimethylamino)-N-methyl-2-butenamide
[CAS# 1472797-69-5]

Identification

• Name: (2E)-N-[(1S)-2-[[5-[2-[(4-Cyanophenyl)amino]-4-(propylamino)-5-pyrimidinyl]-4-pentyn-1-yl]amino]-1-methyl-2-oxoethyl]-4-(dimethylamino)-N-methyl-2-butenamide
• Synonyms: FF 10101
• Molecular Formula: C₂₉H₃₈N₈O₂
• Molecular Weight: 530.66
• CAS Registry Number: 1472797-69-5
• SMILES: C(#CCCCNC([C@@H](N(C(/C=C/CN(C)C)=O)C)C)=O)C=1C(NCCC)=NC(NC2=CC=C(C#N)C=C2)=NC1

Properties

• Solubility: Insoluble (2.0E^-3 g/L g/L) (25 °C), Calc.^*
• pKa: 14.89±0.46 (Most acidic 25 °C), Calc.^*
• Density: 1.19±0.1 g/cm³ (20 °C 760 Torr), Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2022 ACD/Labs)