6-{[(3,5-Dimethoxyphenyl)Amino]Methyl}-5-Methylpyrido[2,3-D]Pyrimidine-2,4-Diamine

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Properties Simple | Detailed

Formula C17H20N6O2
IUPAC Name 6-[(3,5-dimethoxyanilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
Molecular Mass 340.380 g·mol−1
Heat of Formation -9.4 ± 16.7 kJ·mol−1
Dipole Moment 5.40 ± 1.08 D
Volume 396.67 Å 3
Surface Area 362.33 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2,4-diamino-5-methyl-pyrido[5,6-e]pyrimidin-6-yl)methyl-(3,5-dimethoxyphenyl)amine
  • 2,4-diamino-5-methylpyrido[2,3-d]pyrimidine,6-[(3,5-dimethoxyphenyl)aminomethyl]-
  • 6-[[(3,5-dimethoxyphenyl)amino]methyl]-5-methyl-pyrido[3,2-e]pyrimidine-2,4-diamine
  • 6-[[(3,5-dimethoxyphenyl)amino]methyl]-5-methylpyrido[3,2-e]pyrimidine-2,4-diamine
  • pyrimidine analog
CAS Number(s)
  • 163629-16-1
InChIKey HRSHKKZSYXXUHX-UHFFFAOYSA-N
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