3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-4,5-Dimethyl-1,3-Thiazol-3-Ium

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Properties Simple | Detailed

Formula C11H15N4S+
IUPAC Name 5-[(4,5-dimethylthiazol-3-ium-3-yl)methyl]-2-methyl-pyrimidin-4-amine
Molecular Mass 235.329 g·mol−1
Heat of Formation 2257.3 ± 16.7 kJ·mol−1
Dipole Moment 5.63 ± 1.08 D
Volume 265.84 Å 3
Surface Area 253.72 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-4,5-dimethyl-thiazol-3-ium
  • 5-[(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)methyl]-2-methyl-pyrimidin-4-amine
  • 5-[(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)methyl]-2-methylpyrimidin-4-amine
  • 5-[(4,5-dimethyl-3-thiazol-3-iumyl)methyl]-2-methyl-4-pyrimidinamine
  • 5-[(4,5-dimethylthiazol-3-ium-3-yl)methyl]-2-methyl-pyrimidin-4-amine
  • [5-[(4,5-dimethylthiazol-3-ium-3-yl)methyl]-2-methyl-pyrimidin-4-yl]amine
  • bas 00873448
  • dimethialium
  • thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4,5-dimethyl-
  • zinc00278001
CAS Number(s)
  • 15659-74-2
InChIKey AXHYKTKTWXFPDG-UHFFFAOYSA-N
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