74039-21-7
2-METHYLAMINO-4-N-METHYLPIPERAZINO-5-METHYLTHIO-6-CHLOROPYRIMIDINE HYD ROCHLORIDE
Name2-METHYLAMINO-4-N-METHYLPIPERAZINO-5-METHYLTHIO-6-CHLOROPYRIMIDINE HYD ROCHLORIDE
FormulaC11 H18 Cl N5 S . Cl H
1Identification
【Name】
2-METHYLAMINO-4-N-METHYLPIPERAZINO-5-METHYLTHIO-6-CHLOROPYRIMIDINE HYD ROCHLORIDE
【CAS】
【MDL】
MFCD01749689
【English Synonyms】
【Formula】
C11 H18 Cl N5 S . Cl H
【MolWeight】
324.278
【Inchi】
InChI=1S/C11H18ClN5S.ClH/c1-13-11-14-9(12)8(18-3)10(15-11)17-6-4-16(2)5-7-17;/h4-7H2,1-3H3,(H,13,14,15);1H
【InChIKey】
InChIKey=BOPODZXKWPKKNF-UHFFFAOYSA-N
【SMILES】
CNc1nc(c(c(n1)Cl)SC)N2CCN(CC2)C.Cl
【MOL File】
2-METHYLAMINO-4-N-ME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-METHYLAMINO-4-N-METHYLPIPERAZINO-5-METHYLTHIO-6-CHLOROPYRIMIDINE HYD ROCHLORIDE.cml