56518-40-2
5-[(4-BROMO-3,5-DIMETHOXYPHENYL)METHYL]PYRIMIDINE-2,4-DIAMINE HYDROCHLORIDE
Name5-[(4-BROMO-3,5-DIMETHOXYPHENYL)METHYL]PYRIMIDINE-2,4-DIAMINE HYDROCHLORIDE
FormulaC13 H15 Br N4 O2 . Cl H
1Identification
【Name】
5-[(4-BROMO-3,5-DIMETHOXYPHENYL)METHYL]PYRIMIDINE-2,4-DIAMINE HYDROCHLORIDE
【CAS】
【MDL】
MFCD18973489
【English Synonyms】
【Formula】
C13 H15 Br N4 O2 . Cl H
【MolWeight】
375.652
【Inchi】
InChI=1S/C13H15BrN4O2.ClH/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15;/h4-6H,3H2,1-2H3,(H4,15,16,17,18);1H
【InChIKey】
InChIKey=MKXLZXVWTRKRGJ-UHFFFAOYSA-N
【SMILES】
COc1cc(cc(c1Br)OC)Cc2cnc(nc2N)N.Cl
【MOL File】
5-[(4-BROMO-3,5-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[(4-BROMO-3,5-DIMETHOXYPHENYL)METHYL]PYRIMIDINE-2,4-DIAMINE HYDROCHLORIDE.cml