5-[3,5-Dimethoxy-4-(Methoxymethyl)Benzyl]-2,4-Pyrimidinediamine

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Properties Simple | Detailed

Formula C15H20N4O3
IUPAC Name 5-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine
Molecular Mass 304.344 g·mol−1
Heat of Formation -308.3 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 366.35 Å 3
Surface Area 321.28 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-diamino-5-(3,5-dimethoxy-4-(methoxymethyl)benzyl)pyrimidine
  • 2,4-pyrimidinediamine, 5-((3,5-dimethoxy-4-(methoxymethyl)phenyl)methyl)-
  • 5-((3,5-dimethoxy-4-(methoxymethyl)phenyl)methyl)-2,4-pyrimidinediamine
  • [2-amino-5-[3,5-dimethoxy-4-(methoxymethyl)benzyl]pyrimidin-4-yl]amine
CAS Number(s)
  • 55687-86-0
InChIKey SFSQZPZBQINRSC-UHFFFAOYSA-N
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