6-Ethyl-5-{3-[3-Methoxy-5-(4-Morpholinyl)Phenyl]-1-Butyn-1-Yl}-2,4-Pyrimidinediamine
Properties
Property | Value |
---|---|
Formula | C21H27N5O2 |
IUPAC Name | 6-ethyl-5-[(3r)-3-(3-methoxy-5-morpholino-phenyl)but-1-ynyl]pyrimidine-2,4-diamine |
Molecular Mass | 381.471 g·mol−1 |
Heat of Formation | 21.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 0.59 ± 1.08 D |
Volume | 470.69 Å 3 |
Surface Area | 408.86 Å 2 |
HOMO Energy | -8.47 ± 0.55 eV |
LUMO Energy | 2.96 ± eV |
Point Group Symmetry | C1 |
InChIKey | DNZHKQMESCYJCG-AWEZNQCLSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |