885499-74-1
1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-[4-(TRIFLUOROMETHOXY)PHENYL]-4-PIPERIDINEMETHANAMINE
Name1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-[4-(TRIFLUOROMETHOXY)PHENYL]-4-PIPERIDINEMETHANAMINE
1Identification
【Name】
1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-[4-(TRIFLUOROMETHOXY)PHENYL]-4-PIPERIDINEMETHANAMINE
【CAS】
【MDL】
MFCD13183609
【English Synonyms】
【Formula】
C19 H20 F3 N5 O
【MolWeight】
391.395
【Inchi】
InChI=1S/C19H20F3N5O/c20-19(21,22)28-14-3-1-13(2-4-14)18(11-23)6-9-27(10-7-18)17-15-5-8-24-16(15)25-12-26-17/h1-5,8,12H,6-7,9-11,23H2,(H,24,25,26)
【InChIKey】
InChIKey=DWJDGCPTSJEFPC-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C2(CCN(CC2)c3c4cc[nH]c4ncn3)CN)OC(F)(F)F
【MOL File】
1-(7H-PYRROLO[2,3-D]….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
1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-[4-(TRIFLUOROMETHOXY)PHENYL]-4-PIPERIDINEMETHANAMINE.cml