885500-21-0
4-AMINO-N-[(3,4-DICHLOROPHENYL)METHYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINECARBOXAMIDE
Name4-AMINO-N-[(3,4-DICHLOROPHENYL)METHYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINECARBOXAMIDE
1Identification
【Name】
4-AMINO-N-[(3,4-DICHLOROPHENYL)METHYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINECARBOXAMIDE
【CAS】
【MDL】
MFCD13177889
【English Synonyms】
【Formula】
C19 H20 Cl2 N6 O
【MolWeight】
419.314
【Inchi】
InChI=1S/C19H20Cl2N6O/c20-14-2-1-12(9-15(14)21)10-24-18(28)19(22)4-7-27(8-5-19)17-13-3-6-23-16(13)25-11-26-17/h1-3,6,9,11H,4-5,7-8,10,22H2,(H,24,28)(H,23,25,26)
【InChIKey】
InChIKey=NFAREZHQAIPMEN-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1CNC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl)Cl
【MOL File】
4-AMINO-N-[(3,4-DICH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-AMINO-N-[(3,4-DICHLOROPHENYL)METHYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINECARBOXAMIDE.cml