1138474-57-3
4-(5-(3,5-DIMETHYLISOXAZOL-4-YL)BENZO[B]THIOPHEN-2-YL)-5-METHYL-N-(4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)PYRIMIDIN-2-AMINE
Name4-(5-(3,5-DIMETHYLISOXAZOL-4-YL)BENZO[B]THIOPHEN-2-YL)-5-METHYL-N-(4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)PYRIMIDIN-2-AMINE
1Identification
【Name】
4-(5-(3,5-DIMETHYLISOXAZOL-4-YL)BENZO[B]THIOPHEN-2-YL)-5-METHYL-N-(4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)PYRIMIDIN-2-AMINE
【CAS】
【MDL】
MFCD16877483
【English Synonyms】
【Formula】
C30 H31 N5 O2 S
【MolWeight】
525.674
【Inchi】
InChI=1S/C30H31N5O2S/c1-19-18-31-30(32-24-7-9-25(10-8-24)36-15-14-35-12-4-5-13-35)33-29(19)27-17-23-16-22(6-11-26(23)38-27)28-20(2)34-37-21(28)3/h6-11,16-18H,4-5,12-15H2,1-3H3,(H,31,32,33)
【InChIKey】
InChIKey=DHAFQBSKPQXBCD-UHFFFAOYSA-N
【SMILES】
Cc1cnc(nc1c2cc3cc(ccc3s2)c4c(noc4C)C)Nc5ccc(cc5)OCCN6CCCC6
【MOL File】
4-(5-(3,5-DIMETHYLIS….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(5-(3,5-DIMETHYLISOXAZOL-4-YL)BENZO[B]THIOPHEN-2-YL)-5-METHYL-N-(4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)PYRIMIDIN-2-AMINE.cml