84332-26-3
5-PYRIMIDINECARBOXAMIDE, N-((1-BENZYL-2-PYRROLIDINYL)METHYL)-2-(DIMETH YLAMINO)-4-METHOXY-, DIHYDROCHLORIDE
Name5-PYRIMIDINECARBOXAMIDE, N-((1-BENZYL-2-PYRROLIDINYL)METHYL)-2-(DIMETH YLAMINO)-4-METHOXY-, DIHYDROCHLORIDE
FormulaC20 H27 N5 O2 . 2 Cl H
1Identification
【Name】
5-PYRIMIDINECARBOXAMIDE, N-((1-BENZYL-2-PYRROLIDINYL)METHYL)-2-(DIMETH YLAMINO)-4-METHOXY-, DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD01689752
【English Synonyms】
【Formula】
C20 H27 N5 O2 . 2 Cl H
【MolWeight】
442.388
【Inchi】
InChI=1S/C20H27N5O2.2ClH/c1-24(2)20-22-13-17(19(23-20)27-3)18(26)21-12-16-10-7-11-25(16)14-15-8-5-4-6-9-15;;/h4-6,8-9,13,16H,7,10-12,14H2,1-3H3,(H,21,26);2*1H
【InChIKey】
InChIKey=WLJXMEGSBPZHQU-UHFFFAOYSA-N
【SMILES】
CN(C)c1ncc(c(n1)OC)C(=O)NCC2CCCN2Cc3ccccc3.Cl.Cl
【MOL File】
5-PYRIMIDINECARBOXAM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-PYRIMIDINECARBOXAMIDE, N-((1-BENZYL-2-PYRROLIDINYL)METHYL)-2-(DIMETH YLAMINO)-4-METHOXY-, DIHYDROCHLORIDE.cml