413620-31-2
4-([1,1'-BIPHENYL]-4-YLOXY)-6-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-PYRIMIDINE
Name4-([1,1'-BIPHENYL]-4-YLOXY)-6-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-PYRIMIDINE
1Identification
【Name】
4-([1,1'-BIPHENYL]-4-YLOXY)-6-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-PYRIMIDINE
【CAS】
【MDL】
MFCD00582999
【English Synonyms】
【Formula】
C21 H18 N4 O
【MolWeight】
342.4
【Inchi】
InChI=1S/C21H18N4O/c1-15-12-16(2)25(24-15)20-13-21(23-14-22-20)26-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-14H,1-2H3
【InChIKey】
InChIKey=RYTOJLYOAOIAMT-UHFFFAOYSA-N
【SMILES】
Cc1cc(n(n1)c2cc(ncn2)Oc3ccc(cc3)c4ccccc4)C
【MOL File】
4-([1,1'-BIPHENYL]-4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-([1,1'-BIPHENYL]-4-YLOXY)-6-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-PYRIMIDINE.cml