About 5-bromo-4,6-dimethylpyrimidine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenol;[4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]pyrrolo[3,2-c]pyridin-1-yl]methanol;2-[[4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethane-1,2-diamine;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;methane;5-(4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine;2-(4-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;tribromoborane;2,2,2-trifluoroacetic acid
5-bromo-4,6-dimethylpyrimidine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenol;[4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]pyrrolo[3,2-c]pyridin-1-yl]methanol;2-[[4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethane-1,2-diamine;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;methane;5-(4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine;2-(4-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;tribromoborane;2,2,2-trifluoroacetic acid (PubChem CID 158829783) has the molecular formula C226H158B2Br4ClF3N18O12Si2
and a molecular weight of 3807.72 g/mol. Its IUPAC name is 5-bromo-4,6-dimethylpyrimidine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenol;[4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]pyrrolo[3,2-c]pyridin-1-yl]methanol;2-[[4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethane-1,2-diamine;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;methane;5-(4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine;2-(4-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;tribromoborane;2,2,2-trifluoroacetic acid.
Frequently Asked Questions
What is the IUPAC name of 5-bromo-4,6-dimethylpyrimidine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenol;[4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]pyrrolo[3,2-c]pyridin-1-yl]methanol;2-[[4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethane-1,2-diamine;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;methane;5-(4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine;2-(4-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;tribromoborane;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-bromo-4,6-dimethylpyrimidine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenol;[4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]pyrrolo[3,2-c]pyridin-1-yl]methanol;2-[[4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethane-1,2-diamine;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;methane;5-(4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine;2-(4-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;tribromoborane;2,2,2-trifluoroacetic acid (CID 158829783) is 5-bromo-4,6-dimethylpyrimidine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenol;[4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]pyrrolo[3,2-c]pyridin-1-yl]methanol;2-[[4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethane-1,2-diamine;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;methane;5-(4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine;2-(4-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;tribromoborane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-bromo-4,6-dimethylpyrimidine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenol;[4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]pyrrolo[3,2-c]pyridin-1-yl]methanol;2-[[4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethane-1,2-diamine;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;methane;5-(4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine;2-(4-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;tribromoborane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-bromo-4,6-dimethylpyrimidine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenol;[4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]pyrrolo[3,2-c]pyridin-1-yl]methanol;2-[[4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethane-1,2-diamine;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;methane;5-(4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine;2-(4-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;tribromoborane;2,2,2-trifluoroacetic acid is BrB(Br)Br.C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.COc1ccc(-c2c(C)ncnc2C)c(C)c1.COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1.C[Si](C)(C)CCOCn1ccc2c(Cl)nccc21.Cc1cc(O)ccc1-c1c(C)ncnc1C.Cc1cc(Oc2nccc3c2ccn3CO)ccc1-c1c(C)ncnc1C.Cc1cc(Oc2nccc3c2ccn3COCC[Si](C)(C)C)ccc1-c1c(C)ncnc1C.Cc1ncnc(C)c1Br.NCCN.O=C(O)C(F)(F)F.
What is the InChIKey of 5-bromo-4,6-dimethylpyrimidine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenol;[4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]pyrrolo[3,2-c]pyridin-1-yl]methanol;2-[[4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethane-1,2-diamine;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;methane;5-(4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine;2-(4-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;tribromoborane;2,2,2-trifluoroacetic acid?
The InChIKey is FYIHHIJYMHGOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H2.C29H4.C28H6.C27H4.C26H32N4O2Si.C21H20N4O2.C14H21BO3.C14H16N2O.C13H19ClN2OSi.C13H14N2O.C6H7BrN2.C2HF3O2.C2H8N2.CH4.BBr3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2;1-18-15-21(7-8-22(18)25-19(2)28-16-29-20(25)3)32-26-23-10-12-30(24(23)9-11-27-26)17-31-13-14-33(4,5)6;1-13-10-16(4-5-17(13)20-14(2)23-11-24-15(20)3)27-21-18-7-9-25(12-26)19(18)6-8-22-21;1-10-9-11(16-6)7-8-12(10)15-17-13(2,3)14(4,5)18-15;1-9-7-12(17-4)5-6-13(9)14-10(2)15-8-16-11(14)3;1-18(2,3)9-8-17-10-16-7-5-11-12(16)4-6-15-13(11)14;1-8-6-11(16)4-5-12(8)13-9(2)14-7-15-10(13)3;1-4-6(7)5(2)9-3-8-4;3-2(4,5)1(6)7;3-1-2-4;;2-1(3)4/h1-2H;1H,2H3;1-2H3;1H,2H3;7-12,15-16H,13-14,17H2,1-6H3;4-11,26H,12H2,1-3H3;7-9H,1-6H3;5-8H,1-4H3;4-7H,8-10H2,1-3H3;4-7,16H,1-3H3;3H,1-2H3;(H,6,7);1-4H2;1H4;.
What are the key properties of 5-bromo-4,6-dimethylpyrimidine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenol;[4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]pyrrolo[3,2-c]pyridin-1-yl]methanol;2-[[4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethane-1,2-diamine;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;methane;5-(4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine;2-(4-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;tribromoborane;2,2,2-trifluoroacetic acid?
5-bromo-4,6-dimethylpyrimidine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenol;[4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]pyrrolo[3,2-c]pyridin-1-yl]methanol;2-[[4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethane-1,2-diamine;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;methane;5-(4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine;2-(4-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;tribromoborane;2,2,2-trifluoroacetic acid has a molecular weight of 3807.72 g/mol, XLogP of 29.76, 23 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,6-dimethylpyrimidine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenol;[4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]pyrrolo[3,2-c]pyridin-1-yl]methanol;2-[[4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethane-1,2-diamine;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne;methane;5-(4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine;2-(4-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;tribromoborane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158829783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).