1142946-01-7
4-(4-METHYLTHIOPHEN-2-YL)-N-(4-(MORPHOLINOMETHYL)PHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE
Name4-(4-METHYLTHIOPHEN-2-YL)-N-(4-(MORPHOLINOMETHYL)PHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE
1Identification
【Name】
4-(4-METHYLTHIOPHEN-2-YL)-N-(4-(MORPHOLINOMETHYL)PHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE
【CAS】
【MDL】
MFCD16877478
【English Synonyms】
【Formula】
C22 H23 N5 O S
【MolWeight】
405.524
【Inchi】
InChI=1S/C22H23N5OS/c1-15-12-19(29-14-15)20-18-6-7-23-21(18)26-22(25-20)24-17-4-2-16(3-5-17)13-27-8-10-28-11-9-27/h2-7,12,14H,8-11,13H2,1H3,(H2,23,24,25,26)
【InChIKey】
InChIKey=PDPDADAQKFRHGW-UHFFFAOYSA-N
【SMILES】
Cc1cc(sc1)c2c3cc[nH]c3nc(n2)Nc4ccc(cc4)CN5CCOCC5
【MOL File】
4-(4-METHYLTHIOPHEN-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(4-METHYLTHIOPHEN-2-YL)-N-(4-(MORPHOLINOMETHYL)PHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE.cml