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Home >> Chemical Listing >> C >> (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

(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]

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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 Structure CAS # 1472797-69-5, (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, 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 ºC), Calc.*
pKa 14.89±0.46 (Most acidic 25 ºC), Calc.*
Density 1.19±0.1 g/cm3 (20 ºC 760 Torr), Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2022 ACD/Labs)
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