N~4~-(1,3-Benzodioxol-5-Ylmethyl)-6-(3-Methoxyphenyl)-2,4-Pyrimidinediamine

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Properties Simple | Detailed

Formula C19H18N4O3
IUPAC Name n4-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine
Molecular Mass 350.371 g·mol−1
Heat of Formation -77.8 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 403.57 Å 3
Surface Area 375.35 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 2.61 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-4-(3,4-(methylenedioxy)benzylamino)-6-(3-methoxyphenyl)pyrimidine
  • [2-amino-6-(3-methoxyphenyl)pyrimidin-4-yl]-(1,3-benzodioxol-5-ylmethyl)amine
  • hsci1_000334
  • n'-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine
  • wnt agonist
InChIKey FABQUVYDAXWUQP-UHFFFAOYSA-N
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