885499-87-6
4-(4-CHLOROPHENYL)-N-(1-METHYLETHYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINEMETHANAMINE
Name4-(4-CHLOROPHENYL)-N-(1-METHYLETHYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINEMETHANAMINE
1Identification
【Name】
4-(4-CHLOROPHENYL)-N-(1-METHYLETHYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINEMETHANAMINE
【CAS】
【MDL】
MFCD13185230
【English Synonyms】
【Formula】
C21 H26 Cl N5
【MolWeight】
383.924
【Inchi】
InChI=1S/C21H26ClN5/c1-15(2)24-13-21(16-3-5-17(22)6-4-16)8-11-27(12-9-21)20-18-7-10-23-19(18)25-14-26-20/h3-7,10,14-15,24H,8-9,11-13H2,1-2H3,(H,23,25,26)
【InChIKey】
InChIKey=DPOGYYHMJSQCJO-UHFFFAOYSA-N
【SMILES】
CC(C)NCC1(CCN(CC1)c2c3cc[nH]c3ncn2)c4ccc(cc4)Cl
【MOL File】
4-(4-CHLOROPHENYL)-N….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(4-CHLOROPHENYL)-N-(1-METHYLETHYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINEMETHANAMINE.cml