2-{4-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-3-Methyl-2-Thienyl}Ethanol

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Properties Simple | Detailed

Formula C13H17N3OS
IUPAC Name 2-[4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-3-methyl-2-thienyl]ethanol
Molecular Mass 263.359 g·mol−1
Heat of Formation -59.5 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 319.74 Å 3
Surface Area 282.65 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-3-methyl-2-thienyl]ethanol
  • 2-[4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-3-methyl-thiophen-2-yl]ethanol
  • 2-[4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl]ethanol
InChIKey HLBXMICRXICHJQ-UHFFFAOYSA-N
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