685109-45-9
6-(4-METHOXYPHENYL)-5-METHYL-3-(3-THIENYL)PYRAZOLO[1,5-A]PYRIMIDIN-7-YLAMINE
Name6-(4-METHOXYPHENYL)-5-METHYL-3-(3-THIENYL)PYRAZOLO[1,5-A]PYRIMIDIN-7-YLAMINE
1Identification
【Name】
6-(4-METHOXYPHENYL)-5-METHYL-3-(3-THIENYL)PYRAZOLO[1,5-A]PYRIMIDIN-7-YLAMINE
【CAS】
【MDL】
MFCD03617648
【English Synonyms】
【Formula】
C18 H16 N4 O S
【MolWeight】
336.417
【Inchi】
InChI=1S/C18H16N4OS/c1-11-16(12-3-5-14(23-2)6-4-12)17(19)22-18(21-11)15(9-20-22)13-7-8-24-10-13/h3-10H,19H2,1-2H3
【InChIKey】
InChIKey=LSIPSBSVYAELHE-UHFFFAOYSA-N
【SMILES】
Cc1c(c(n2c(n1)c(cn2)c3ccsc3)N)c4ccc(cc4)OC
【MOL File】
6-(4-METHOXYPHENYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-(4-METHOXYPHENYL)-5-METHYL-3-(3-THIENYL)PYRAZOLO[1,5-A]PYRIMIDIN-7-YLAMINE.cml