885499-72-9
4-(3,4-DICHLOROPHENYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINEMETHANAMINE
Name4-(3,4-DICHLOROPHENYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINEMETHANAMINE
pro_formulaC18 H19 Cl2 N5
1Identification
【Name】
4-(3,4-DICHLOROPHENYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINEMETHANAMINE
【CAS】
【MDL】
MFCD13183610
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H19 Cl2 N5
【pro_molWeight】
376.289
【Inchi】
InChI=1S/C18H19Cl2N5/c19-14-2-1-12(9-15(14)20)18(10-21)4-7-25(8-5-18)17-13-3-6-22-16(13)23-11-24-17/h1-3,6,9,11H,4-5,7-8,10,21H2,(H,22,23,24)
【InChIKey】
InChIKey=DLIZYMFIPAFHAA-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1C2(CCN(CC2)c3c4cc[nH]c4ncn3)CN)Cl)Cl
【MOL File】
4-(3,4-DICHLOROPHENY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-(3,4-DICHLOROPHENYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINEMETHANAMINE.cml