885499-89-8
4-PIPERIDINEMETHANAMINE, 4-[(3,4-DICHLOROPHENYL)METHYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-
Name4-PIPERIDINEMETHANAMINE, 4-[(3,4-DICHLOROPHENYL)METHYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-
pro_formulaC19 H21 Cl2 N5
1Identification
【Name】
4-PIPERIDINEMETHANAMINE, 4-[(3,4-DICHLOROPHENYL)METHYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-
【CAS】
【MDL】
MFCD13183602
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H21 Cl2 N5
【pro_molWeight】
390.316
【Inchi】
InChI=1S/C19H21Cl2N5/c20-15-2-1-13(9-16(15)21)10-19(11-22)4-7-26(8-5-19)18-14-3-6-23-17(14)24-12-25-18/h1-3,6,9,12H,4-5,7-8,10-11,22H2,(H,23,24,25)
【InChIKey】
InChIKey=MEMUHJACWBFGQB-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1CC2(CCN(CC2)c3c4cc[nH]c4ncn3)CN)Cl)Cl
【MOL File】
4-PIPERIDINEMETHANAM….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-PIPERIDINEMETHANAMINE, 4-[(3,4-DICHLOROPHENYL)METHYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-.cml