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

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Properties Simple | Detailed

Formula C21H27N9O3S
IUPAC Name 4-[2-[(6-methoxy-3-pyridyl)amino]-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-pyridyl]-6-methyl-1,3,5-triazin-2-amine
Molecular Mass 485.563 g·mol−1
Heat of Formation -91.9 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 549.08 Å 3
Surface Area 480.96 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
InChIKey RNTFRUPRTOCGJO-UHFFFAOYSA-N
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