About acetonitrile;chloroform;3-(2-chloropyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)indole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;ethanol;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-amine;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine
acetonitrile;chloroform;3-(2-chloropyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)indole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;ethanol;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-amine;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine (PubChem CID 160518560) has the molecular formula C140H155Cl4F17N34O19S
and a molecular weight of 3114.84 g/mol. Its IUPAC name is acetonitrile;chloroform;3-(2-chloropyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)indole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;ethanol;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-amine;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine.
Frequently Asked Questions
What is the IUPAC name of acetonitrile;chloroform;3-(2-chloropyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)indole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;ethanol;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-amine;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine?
The IUPAC name of acetonitrile;chloroform;3-(2-chloropyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)indole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;ethanol;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-amine;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine (CID 160518560) is acetonitrile;chloroform;3-(2-chloropyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)indole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;ethanol;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-amine;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine.
What is the SMILES notation for acetonitrile;chloroform;3-(2-chloropyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)indole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;ethanol;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-amine;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine?
The canonical SMILES for acetonitrile;chloroform;3-(2-chloropyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)indole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;ethanol;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-amine;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine is C=CC(=O)Nc1cc(Nc2nccc(-c3cn(CC(F)(F)F)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)OC(=O)C=C.CC#N.CCO.CNCCN(C)C.COc1cc(F)c([N+](=O)[O-])cc1N.COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-c2cn(CC(F)(F)F)c3ccccc23)n1.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1nccc(-c2cn(CC(F)(F)F)c3ccccc23)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1nccc(-c2cn(CC(F)(F)F)c3ccccc23)n1.CS(=O)(=O)O.ClC(Cl)Cl.FC(F)(F)Cn1cc(-c2ccnc(Cl)n2)c2ccccc21.
What is the InChIKey of acetonitrile;chloroform;3-(2-chloropyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)indole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;ethanol;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-amine;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine?
The InChIKey is SWAPSACJMIMCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N7O2.C26H28F3N7O3.C26H30F3N7O.C21H15F4N5O3.C14H9ClF3N3.C7H7FN2O3.C6H6O3.C5H14N2.C2H3N.C2H6O.CHCl3.CH4O3S/c1-6-27(40)34-22-15-23(26(41-5)16-25(22)38(4)14-13-37(2)3)36-28-33-12-11-21(35-28)20-17-39(18-29(30,31)32)24-10-8-7-9-19(20)24;1-33(2)11-12-34(3)22-14-24(39-4)20(13-23(22)36(37)38)32-25-30-10-9-19(31-25)18-15-35(16-26(27,28)29)21-8-6-5-7-17(18)21;1-34(2)11-12-35(3)23-14-24(37-4)21(13-19(23)30)33-25-31-10-9-20(32-25)18-15-36(16-26(27,28)29)22-8-6-5-7-17(18)22;1-33-19-8-14(22)18(30(31)32)9-16(19)28-20-26-7-6-15(27-20)13-10-29(11-21(23,24)25)17-5-3-2-4-12(13)17;15-13-19-6-5-11(20-13)10-7-21(8-14(16,17)18)12-4-2-1-3-9(10)12;1-13-7-2-4(8)6(10(11)12)3-5(7)9;1-3-5(7)9-6(8)4-2;1-6-4-5-7(2)3;2*1-2-3;2-1(3)4;1-5(2,3)4/h6-12,15-17H,1,13-14,18H2,2-5H3,(H,34,40)(H,33,35,36);5-10,13-15H,11-12,16H2,1-4H3,(H,30,31,32);5-10,13-15H,11-12,16,30H2,1-4H3,(H,31,32,33);2-10H,11H2,1H3,(H,26,27,28);1-7H,8H2;2-3H,9H2,1H3;3-4H,1-2H2;6H,4-5H2,1-3H3;1H3;3H,2H2,1H3;1H;1H3,(H,2,3,4).
What are the key properties of acetonitrile;chloroform;3-(2-chloropyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)indole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;ethanol;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-amine;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine?
acetonitrile;chloroform;3-(2-chloropyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)indole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;ethanol;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-amine;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine has a molecular weight of 3114.84 g/mol, XLogP of 29.16, 45 rotatable bonds, 10 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;chloroform;3-(2-chloropyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)indole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;ethanol;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-amine;methanesulfonic acid;prop-2-enoyl prop-2-enoate;N,N',N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 160518560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).