| Formula |
C22H28N8O |
| IUPAC Name |
1-[1-[[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]methyl]-4-piperidyl]propan-1-one |
| Molecular Mass |
420.511 g·mol−1 |
| Heat of Formation |
200.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.96 ± 1.08 D |
| Volume |
507.71 Å 3 |
| Surface Area |
451.08 Å 2 |
| HOMO Energy |
-8.37 ± 0.55 eV |
| LUMO Energy |
1.92 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 1-[1-[4-[(2,4-diaminopteridin-6-yl)methylamino]benzyl]-4-piperidyl]propan-1-one
- 1-[1-[[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]methyl]-4-piperidinyl]propan-1-one
- 1-[1-[[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]methyl]piperidin-4-yl]propan-1-one
|
| InChIKey |
DOEVVOHGRLMSRO-UHFFFAOYSA-N |
| QR Code |
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| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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