4-{[4-Amino-6-(Cyclohexylmethoxy)-5-Nitroso-2-Pyrimidinyl]Amino}Benzamide

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Properties Simple | Detailed

Formula C18H22N6O3
IUPAC Name 4-[[4-amino-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]benzamide
Molecular Mass 370.406 g·mol−1
Heat of Formation -150.8 ± 16.7 kJ·mol−1
Dipole Moment 4.63 ± 1.08 D
Volume 428.71 Å 3
Surface Area 388.62 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • 2-arylamino-pyrimidine deriv. 9d
  • 4-[[4-amino-6-(cyclohexylmethoxy)-5-nitroso-2-pyrimidinyl]amino]benzamide
  • 4-[[4-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-2-yl]amino]benzamide
  • 4-{[4-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-2-yl]amino}benzamide
InChIKey YBKLJTXDSBEVRV-UHFFFAOYSA-N
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