885500-02-7
1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-[[3-(TRIFLUOROMETHOXY)PHENYL]METHYL]-4-PIPERIDINAMINE
Name1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-[[3-(TRIFLUOROMETHOXY)PHENYL]METHYL]-4-PIPERIDINAMINE
1Identification
【Name】
1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-[[3-(TRIFLUOROMETHOXY)PHENYL]METHYL]-4-PIPERIDINAMINE
【CAS】
【MDL】
MFCD13177906
【English Synonyms】
【Formula】
C19 H20 F3 N5 O
【MolWeight】
391.395
【Inchi】
InChI=1S/C19H20F3N5O/c20-19(21,22)28-14-3-1-2-13(10-14)11-18(23)5-8-27(9-6-18)17-15-4-7-24-16(15)25-12-26-17/h1-4,7,10,12H,5-6,8-9,11,23H2,(H,24,25,26)
【InChIKey】
InChIKey=FWXXBSHAGPYOEO-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)OC(F)(F)F)CC2(CCN(CC2)c3c4cc[nH]c4ncn3)N
【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-[[3-(TRIFLUOROMETHOXY)PHENYL]METHYL]-4-PIPERIDINAMINE.cml