N,N'-Bis(4-Fluoro-3-Methylbenzyl)-4,6-Pyrimidinedicarboxamide

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Properties Simple | Detailed

Formula C22H20F2N4O2
IUPAC Name n4,n6-bis[(4-fluoro-3-methyl-phenyl)methyl]pyrimidine-4,6-dicarboxamide
Molecular Mass 410.417 g·mol−1
Heat of Formation -431.4 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 469.72 Å 3
Surface Area 435.74 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 1.55 ± eV
Point Group Symmetry Cs
Synonyms
  • mmp-13 inhibitor
  • n,n'-bis(4-fluoro-3-methyl-benzyl)pyrimidine-4,6-dicarboxamide
  • n,n'-bis[(4-fluoro-3-methyl-phenyl)methyl]pyrimidine-4,6-dicarboxamide
  • pb4
  • pyrimidine-4,6-dicarboxylic acid, bis-(4-fluoro-3-methyl-benzylamide)
InChIKey PYFRREJCFXFNRR-UHFFFAOYSA-N
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