6-Ethyl-5-{3-[3-Methoxy-5-(4-Pyridinyl)Phenyl]-1-Butyn-1-Yl}-2,4-Pyrimidinediamine
Properties
Property | Value |
---|---|
Formula | C22H23N5O |
IUPAC Name | 6-ethyl-5-[(3s)-3-[3-methoxy-5-(4-pyridyl)phenyl]but-1-ynyl]pyrimidine-2,4-diamine |
Molecular Mass | 373.451 g·mol−1 |
Heat of Formation | 297.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.78 ± 1.08 D |
Volume | 463.32 Å 3 |
Surface Area | 407.26 Å 2 |
HOMO Energy | -8.47 ± 0.55 eV |
LUMO Energy | -0.81 ± eV |
Point Group Symmetry | C1 |
InChIKey | KEPLBUUTAQCZOE-CQSZACIVSA-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 |