3270-78-8
6-(2-AMINO-1,6-DIMETHYL-PYRIMIDIN-4-YLIDENE)AMINO-1,2-DIMETHYL-QUINOLIN-4-AMINE
Name6-(2-AMINO-1,6-DIMETHYL-PYRIMIDIN-4-YLIDENE)AMINO-1,2-DIMETHYL-QUINOLIN-4-AMINE
FormulaC17 H22 N6 . 2 C H3 O4 S
1Identification
【Name】
6-(2-AMINO-1,6-DIMETHYL-PYRIMIDIN-4-YLIDENE)AMINO-1,2-DIMETHYL-QUINOLIN-4-AMINE
【CAS】
【MDL】
MFCD01686754
【English Synonyms】
【Formula】
C17 H22 N6 . 2 C H3 O4 S
【MolWeight】
532.596
【Inchi】
InChI=1S/C17H20N6.2CH4O4S/c1-10-7-14(18)13-9-12(5-6-15(13)22(10)3)20-16-8-11(2)23(4)17(19)21-16;2*1-5-6(2,3)4/h5-9,18H,1-4H3,(H2,19,20,21);2*1H3,(H,2,3,4)
【InChIKey】
InChIKey=WZIPHSLUGLMTRU-UHFFFAOYSA-N
【SMILES】
Cc1cc(c2cc(ccc2[n+]1C)Nc3cc([n+](c(n3)N)C)C)N.COS(=O)(=O)[O-].COS(=O)(=O)[O-]
【MOL File】
6-(2-AMINO-1,6-DIMET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-(2-AMINO-1,6-DIMETHYL-PYRIMIDIN-4-YLIDENE)AMINO-1,2-DIMETHYL-QUINOLIN-4-AMINE.cml