2-[(2,4-Diamino-5-Methylpyrido[2,3-D]Pyrimidin-6-Yl)Methyl]-4-Methoxyphenol

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Properties Simple | Detailed

Formula C16H17N5O2
IUPAC Name 2-[(2,4-diamino-5-methyl-pyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxy-phenol
Molecular Mass 311.338 g·mol−1
Heat of Formation -35.7 ± 16.7 kJ·mol−1
Dipole Moment 7.24 ± 1.08 D
Volume 356.15 Å 3
Surface Area 319.85 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-demethylpiritrexim
  • 2-[(2,4-diamino-5-methyl-6-pyrido[5,6-e]pyrimidinyl)methyl]-4-methoxyphenol
  • 2-[(2,4-diamino-5-methyl-pyrido[5,6-e]pyrimidin-6-yl)methyl]-4-methoxy-phenol
  • 2-[(2,4-diamino-5-methylpyrido[5,6-e]pyrimidin-6-yl)methyl]-4-methoxyphenol
  • phenol, 2-((2,4-diamino-5-methylpyrido(2,3-d)pyrimidin-6-yl)methyl)-4-methoxy-
CAS Number(s)
  • 118252-37-2
InChIKey YXFRPMAJOWELER-UHFFFAOYSA-N
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