6-{5-[(2,4-Diamino-5-Pyrimidinyl)Methyl]-2,3-Dimethoxyphenyl}-5-Hexynoic Acid

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Properties Simple | Detailed

Formula C19H22N4O4
IUPAC Name 6-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-phenyl]hex-5-ynoic acid
Molecular Mass 370.402 g·mol−1
Heat of Formation -342.1 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 443.09 Å 3
Surface Area 364.04 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 2.80 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-diamino-5-[3',4'-dimethoxy-5'-(5-carboxy-1-pentynyl)benzyl]pyrimidine
  • 6-[5-[(2,4-diamino-5-pyrimidinyl)methyl]-2,3-dimethoxyphenyl]hex-5-ynoic acid
  • 6-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]hex-5-ynoic acid
InChIKey JAGSWKLZBKKKJP-UHFFFAOYSA-N
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