2-{[(3R,4R)-3-Aminotetrahydro-2H-Pyran-4-Yl]Amino}-4-[(4-Methylphenyl)Amino]-5-Pyrimidinecarboxamide

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Formula C17H22N6O2
IUPAC Name 2-[[(3r,4r)-3-aminotetrahydropyran-4-yl]amino]-4-(4-methylanilino)pyrimidine-5-carboxamide
Molecular Mass 342.396 g·mol−1
Heat of Formation -171.3 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 403.77 Å 3
Surface Area 359.91 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 2.41 ± eV
Point Group Symmetry C1
InChIKey KBPYMFSSFLOJPH-UONOGXRCSA-N
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