Formula |
C22H26N8O3 |
IUPAC Name |
methyl 1-[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]piperidine-4-carboxylate |
Molecular Mass |
450.494 g·mol−1 |
Heat of Formation |
-168.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.49 ± 1.08 D |
Volume |
520.81 Å 3 |
Surface Area |
424.95 Å 2 |
HOMO Energy |
-8.63 ± 0.55 eV |
LUMO Energy |
-0.79 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1-[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]isonipecotic acid methyl ester
- 1-[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester
- methyl 1-[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]phenyl]carbonylpiperidine-4-carboxylate
- methyl 1-[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]piperidine-4-carboxylate
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InChIKey |
UKCFUFHREWUXJJ-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
O
N
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