4-(2-[(5-Fluoro-6-Methoxy-3-Pyridinyl)Amino]-5-{(1R)-1-[4-(Methylsulfonyl)-1-Piperazinyl]Ethyl}-3-Pyridinyl)-6-Methyl-1,3,5-Triazin-2-Amine

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Properties Simple | Detailed

Formula C22H28FN9O3S
IUPAC Name 4-[2-[(5-fluoro-6-methoxy-3-pyridyl)amino]-5-[(1r)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]-3-pyridyl]-6-methyl-1,3,5-triazin-2-amine
Molecular Mass 517.580 g·mol−1
Heat of Formation -300.8 ± 16.7 kJ·mol−1
Dipole Moment 6.92 ± 1.08 D
Volume 579.78 Å 3
Surface Area 492.34 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy 1.97 ± eV
Point Group Symmetry C1
InChIKey KUGIFHQBIIHRIZ-CYBMUJFWSA-N
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