magnesium;2-[3-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-(3-amino-2-pyridinyl)propan-2-ol;carbanide;bis(carbon dioxide);4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;bis(dichloromethane);2-[3-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2,3-dimethylpyridine;2-[3-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;methane;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine;bromide

C125H172BrCl6F5MgN38O22 — CID 160615175

About magnesium;2-[3-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-(3-amino-2-pyridinyl)propan-2-ol;carbanide;bis(carbon dioxide);4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;bis(dichloromethane);2-[3-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2,3-dimethylpyridine;2-[3-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;methane;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine;bromide

magnesium;2-[3-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-(3-amino-2-pyridinyl)propan-2-ol;carbanide;bis(carbon dioxide);4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;bis(dichloromethane);2-[3-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2,3-dimethylpyridine;2-[3-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;methane;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine;bromide (PubChem CID 160615175) has the molecular formula C125H172BrCl6F5MgN38O22 and a molecular weight of 2970.91 g/mol. Its IUPAC name is magnesium;2-[3-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-(3-amino-2-pyridinyl)propan-2-ol;carbanide;bis(carbon dioxide);4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;bis(dichloromethane);2-[3-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2,3-dimethylpyridine;2-[3-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;methane;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine;bromide.

Molecular Properties

• Compound Name: magnesium;2-[3-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-(3-amino-2-pyridinyl)propan-2-ol;carbanide;bis(carbon dioxide);4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;bis(dichloromethane);2-[3-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2,3-dimethylpyridine;2-[3-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;methane;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine;bromide
• PubChem CID: 160615175
• Molecular Formula: C125H172BrCl6F5MgN38O22
• Molecular Weight: 2970.91 g/mol
• Exact Mass: 2965.06
• IUPAC Name: magnesium;2-[3-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-(3-amino-2-pyridinyl)propan-2-ol;carbanide;bis(carbon dioxide);4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;bis(dichloromethane);2-[3-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2,3-dimethylpyridine;2-[3-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;methane;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine;bromide
• SMILES: C.C.C1CCOC1.C=CC(=O)Cl.CC(C)(O)c1ncccc1N.CNCCN(C)C.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Cl)n1.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cccnc2C(C)(C)O)n1.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1ncnc(Nc2cccnc2C(C)(C)O)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cccnc2C(C)(C)O)n1.Cc1cccnc1C.Cc1cccnc1C(C)(C)O.Cc1ncccc1N.ClCCl.ClCCl.O=C=O.O=C=O.O=CC(F)(F)F.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/C23H31N9O4.C23H33N9O2.C18H18FN7O4.C10H7ClFN5O3.C9H13NO.C8H12N2O.C7H9N.C6H8N2.C5H14N2.C4H8O.C3H3ClO.C2HF3O.2CH2Cl2.2CO2.2CH4.CH3.BrH.Mg/c1-23(2,33)20-15(8-7-9-24-20)27-21-25-14-26-22(29-21)28-16-12-18(32(34)35)17(13-19(16)36-6)31(5)11-10-30(3)4;1-23(2,33)20-16(8-7-9-25-20)28-21-26-14-27-22(30-21)29-17-12-15(24)18(13-19(17)34-6)32(5)11-10-31(3)4;1-18(2,27)15-11(5-4-6-20-15)23-16-21-9-22-17(25-16)24-12-8-13(26(28)29)10(19)7-14(12)30-3;1-20-8-2-5(12)7(17(18)19)3-6(8)15-10-14-4-13-9(11)16-10;1-7-5-4-6-10-8(7)9(2,3)11;1-8(2,11)7-6(9)4-3-5-10-7;1-6-4-3-5-8-7(6)2;1-5-6(7)3-2-4-8-5;1-6-4-5-7(2)3;1-2-4-5-3-1;1-2-3(4)5;3-2(4,5)1-6;4*2-1-3;;;;;/h7-9,12-14,33H,10-11H2,1-6H3,(H2,25,26,27,28,29);7-9,12-14,33H,10-11,24H2,1-6H3,(H2,26,27,28,29,30);4-9,27H,1-3H3,(H2,21,22,23,24,25);2-4H,1H3,(H,13,14,15,16);4-6,11H,1-3H3;3-5,11H,9H2,1-2H3;3-5H,1-2H3;2-4H,7H2,1H3;6H,4-5H2,1-3H3;1-4H2;2H,1H2;1H;2*1H2;;;2*1H4;1H3;1H;/q;;;;;;;;;;;;;;;;;;-1;;+2/p-1
• InChIKey: VZCGQDLQIBWERU-UHFFFAOYSA-M
• XLogP: 18.28
• TPSA: 814.55 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 57
• Rotatable Bonds: 38
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2970.91
LogP ≤ 5	18.28
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	57

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;2-[3-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-(3-amino-2-pyridinyl)propan-2-ol;carbanide;bis(carbon dioxide);4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;bis(dichloromethane);2-[3-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2,3-dimethylpyridine;2-[3-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;methane;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine;bromide?

The IUPAC name of magnesium;2-[3-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-(3-amino-2-pyridinyl)propan-2-ol;carbanide;bis(carbon dioxide);4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;bis(dichloromethane);2-[3-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2,3-dimethylpyridine;2-[3-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;methane;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine;bromide (CID 160615175) is magnesium;2-[3-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-(3-amino-2-pyridinyl)propan-2-ol;carbanide;bis(carbon dioxide);4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;bis(dichloromethane);2-[3-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2,3-dimethylpyridine;2-[3-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;methane;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine;bromide.

What is the SMILES notation for magnesium;2-[3-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-(3-amino-2-pyridinyl)propan-2-ol;carbanide;bis(carbon dioxide);4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;bis(dichloromethane);2-[3-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2,3-dimethylpyridine;2-[3-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;methane;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine;bromide?

The canonical SMILES for magnesium;2-[3-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-(3-amino-2-pyridinyl)propan-2-ol;carbanide;bis(carbon dioxide);4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;bis(dichloromethane);2-[3-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2,3-dimethylpyridine;2-[3-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;methane;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine;bromide is C.C.C1CCOC1.C=CC(=O)Cl.CC(C)(O)c1ncccc1N.CNCCN(C)C.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Cl)n1.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cccnc2C(C)(C)O)n1.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1ncnc(Nc2cccnc2C(C)(C)O)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cccnc2C(C)(C)O)n1.Cc1cccnc1C.Cc1cccnc1C(C)(C)O.Cc1ncccc1N.ClCCl.ClCCl.O=C=O.O=C=O.O=CC(F)(F)F.[Br-].[CH3-].[Mg+2].

What is the InChIKey of magnesium;2-[3-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-(3-amino-2-pyridinyl)propan-2-ol;carbanide;bis(carbon dioxide);4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;bis(dichloromethane);2-[3-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2,3-dimethylpyridine;2-[3-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;methane;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine;bromide?

The InChIKey is VZCGQDLQIBWERU-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H31N9O4.C23H33N9O2.C18H18FN7O4.C10H7ClFN5O3.C9H13NO.C8H12N2O.C7H9N.C6H8N2.C5H14N2.C4H8O.C3H3ClO.C2HF3O.2CH2Cl2.2CO2.2CH4.CH3.BrH.Mg/c1-23(2,33)20-15(8-7-9-24-20)27-21-25-14-26-22(29-21)28-16-12-18(32(34)35)17(13-19(16)36-6)31(5)11-10-30(3)4;1-23(2,33)20-16(8-7-9-25-20)28-21-26-14-27-22(30-21)29-17-12-15(24)18(13-19(17)34-6)32(5)11-10-31(3)4;1-18(2,27)15-11(5-4-6-20-15)23-16-21-9-22-17(25-16)24-12-8-13(26(28)29)10(19)7-14(12)30-3;1-20-8-2-5(12)7(17(18)19)3-6(8)15-10-14-4-13-9(11)16-10;1-7-5-4-6-10-8(7)9(2,3)11;1-8(2,11)7-6(9)4-3-5-10-7;1-6-4-3-5-8-7(6)2;1-5-6(7)3-2-4-8-5;1-6-4-5-7(2)3;1-2-4-5-3-1;1-2-3(4)5;3-2(4,5)1-6;4*2-1-3;;;;;/h7-9,12-14,33H,10-11H2,1-6H3,(H2,25,26,27,28,29);7-9,12-14,33H,10-11,24H2,1-6H3,(H2,26,27,28,29,30);4-9,27H,1-3H3,(H2,21,22,23,24,25);2-4H,1H3,(H,13,14,15,16);4-6,11H,1-3H3;3-5,11H,9H2,1-2H3;3-5H,1-2H3;2-4H,7H2,1H3;6H,4-5H2,1-3H3;1-4H2;2H,1H2;1H;2*1H2;;;2*1H4;1H3;1H;/q;;;;;;;;;;;;;;;;;;-1;;+2/p-1.

What are the key properties of magnesium;2-[3-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-(3-amino-2-pyridinyl)propan-2-ol;carbanide;bis(carbon dioxide);4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;bis(dichloromethane);2-[3-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2,3-dimethylpyridine;2-[3-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;methane;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine;bromide?

magnesium;2-[3-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-(3-amino-2-pyridinyl)propan-2-ol;carbanide;bis(carbon dioxide);4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;bis(dichloromethane);2-[3-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2,3-dimethylpyridine;2-[3-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;methane;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine;bromide has a molecular weight of 2970.91 g/mol, XLogP of 18.28, 38 rotatable bonds, 16 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;2-[3-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-(3-amino-2-pyridinyl)propan-2-ol;carbanide;bis(carbon dioxide);4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;bis(dichloromethane);2-[3-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2,3-dimethylpyridine;2-[3-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;methane;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;prop-2-enoyl chloride;2,2,2-trifluoroacetaldehyde;N,N',N'-trimethylethane-1,2-diamine;bromide is sourced from PubChem (CID 160615175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).