N-Benzyl-6-Chloro-2-(1-Piperazinyl)-4-(1-Pyrrolidinyl)-7-Pteridinamine

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Properties Simple | Detailed

Formula C21H25ClN8
IUPAC Name n-benzyl-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-amine
Molecular Mass 424.930 g·mol−1
Heat of Formation 426.9 ± 16.7 kJ·mol−1
Dipole Moment 1.93 ± 1.08 D
Volume 487.7 Å 3
Surface Area 435.85 Å 2
HOMO Energy -8.23 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • 6-chloro-n-(phenylmethyl)-2-(1-piperazinyl)-4-(1-pyrrolidinyl)-7-pteridinamine
  • 6-chloro-n-(phenylmethyl)-2-(1-piperazinyl)-4-1-pyrrolidinyl-7-pteridinamine
  • 6-chloro-n-(phenylmethyl)-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-amine
  • 6-chloro-n-(phenylmethyl)-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine
  • 7-benzylamino-6-chloro-2-piperazino-4-pyrrolidinopteridine
  • 7-pteridinamine, 6-chloro-n-(phenylmethyl)-2-(1-piperazinyl)-4-(1-pyrrolidinyl)-
  • benzyl-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-yl)amine
  • dc-ta-46
CAS Number(s)
  • 109577-83-5
InChIKey GEJPLNWGEJLXJN-UHFFFAOYSA-N
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Elements H C N Cl