2,4-Diamino-5-(2-Methoxy-5-(4-Carboxybutyloxy)Benzyl)Pyrimidine

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Properties Simple | Detailed

Formula C17H22N4O4
IUPAC Name 5-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenoxy]pentanoic acid
Molecular Mass 346.381 g·mol−1
Heat of Formation -560.2 ± 16.7 kJ·mol−1
Dipole Moment 1.29 ± 1.08 D
Volume 414.24 Å 3
Surface Area 375.04 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[3-[(2,4-diamino-5-pyrimidinyl)methyl]-4-methoxyphenoxy]pentanoic acid
  • 5-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenoxy]valeric acid
  • 5-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenoxy]pentanoic acid
  • dh1
  • pentanoic acid, 5-[3-[(2,4-diamino-5-pyrimidinyl)methyl]-4-methoxyphenoxy]-
InChIKey ALDCXILJAYAUTH-UHFFFAOYSA-N
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