2-{[(1R,2S)-2-Aminocyclohexyl]Amino}-4-[(3-Methylphenyl)Amino]-5-Pyrimidinecarboxamide

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Formula C18H24N6O
IUPAC Name 2-[[(1r,2s)-2-aminocyclohexyl]amino]-4-(3-methylanilino)pyrimidine-5-carboxamide
Molecular Mass 340.423 g·mol−1
Heat of Formation -38.0 ± 16.7 kJ·mol−1
Dipole Moment 4.96 ± 1.08 D
Volume 412.42 Å 3
Surface Area 370.01 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy 2.75 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(1r,2s)-2-aminocyclohexyl]amino]-4-[(3-methylphenyl)amino]-5-pyrimidinecarboxamide
  • 2-[[(1r,2s)-2-aminocyclohexyl]amino]-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide
InChIKey NZNTWOVDIXCHHS-LSDHHAIUSA-N
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