magnesium;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;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;N,N',N'-trimethylethane-1,2-diamine;bromide

C95H127BrCl5F2MgN29O18 — CID 159066027

IUPACmagnesium;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;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;N,N',N'-trimethylethane-1,2-diamine;bromide
SMILESC1CCOC1.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+](=O)[O-])cc1Nc1ncnc(Nc2cccnc2C(C)(C)O)n1.Cc1cccnc1C.Cc1cccnc1C(C)(C)O.Cc1ncccc1N.ClCCl.ClCCl.O=C=O.O=C=O.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C23H31N9O4.C18H18FN7O4.C10H7ClFN5O3.C9H13NO.C8H12N2O.C7H9N.C6H8N2.C5H14N2.C4H8O.2CH2Cl2.2CO2.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;1-18(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;4*2-1-3;;;/h7-9,12-14,33H,10-11H2,1-6H3,(H2,25,26,27,28,29);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;2*1H2;;;1H3;1H;/q;;;;;;;;;;;;;-1;;+2/p-1
InChIKeyURNPPNGAMLBMGD-UHFFFAOYSA-M
MW2282.72 g/mol
LogP12.75
Rot. Bonds27

About magnesium;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;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;N,N',N'-trimethylethane-1,2-diamine;bromide

magnesium;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;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;N,N',N'-trimethylethane-1,2-diamine;bromide (PubChem CID 159066027) has the molecular formula C95H127BrCl5F2MgN29O18 and a molecular weight of 2282.72 g/mol. Its IUPAC name is magnesium;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;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;N,N',N'-trimethylethane-1,2-diamine;bromide.

Molecular Properties

Compound Namemagnesium;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;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;N,N',N'-trimethylethane-1,2-diamine;bromide
PubChem CID159066027
Molecular FormulaC95H127BrCl5F2MgN29O18
Molecular Weight2282.72 g/mol
Exact Mass2277.74
IUPAC Namemagnesium;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;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;N,N',N'-trimethylethane-1,2-diamine;bromide
SMILESC1CCOC1.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+](=O)[O-])cc1Nc1ncnc(Nc2cccnc2C(C)(C)O)n1.Cc1cccnc1C.Cc1cccnc1C(C)(C)O.Cc1ncccc1N.ClCCl.ClCCl.O=C=O.O=C=O.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C23H31N9O4.C18H18FN7O4.C10H7ClFN5O3.C9H13NO.C8H12N2O.C7H9N.C6H8N2.C5H14N2.C4H8O.2CH2Cl2.2CO2.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;1-18(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;4*2-1-3;;;/h7-9,12-14,33H,10-11H2,1-6H3,(H2,25,26,27,28,29);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;2*1H2;;;1H3;1H;/q;;;;;;;;;;;;;-1;;+2/p-1
InChIKeyURNPPNGAMLBMGD-UHFFFAOYSA-M
XLogP12.75
TPSA642.83 Ų
H-Bond Donors12
H-Bond Acceptors44
Rotatable Bonds27
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002282.72
LogP ≤ 512.75
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze magnesium;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;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;N,N',N'-trimethylethane-1,2-diamine;bromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;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;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;N,N',N'-trimethylethane-1,2-diamine;bromide?
The IUPAC name of magnesium;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;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;N,N',N'-trimethylethane-1,2-diamine;bromide (CID 159066027) is magnesium;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;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;N,N',N'-trimethylethane-1,2-diamine;bromide.
What is the SMILES notation for magnesium;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;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;N,N',N'-trimethylethane-1,2-diamine;bromide?
The canonical SMILES for magnesium;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;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;N,N',N'-trimethylethane-1,2-diamine;bromide is C1CCOC1.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+](=O)[O-])cc1Nc1ncnc(Nc2cccnc2C(C)(C)O)n1.Cc1cccnc1C.Cc1cccnc1C(C)(C)O.Cc1ncccc1N.ClCCl.ClCCl.O=C=O.O=C=O.[Br-].[CH3-].[Mg+2].
What is the InChIKey of magnesium;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;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;N,N',N'-trimethylethane-1,2-diamine;bromide?
The InChIKey is URNPPNGAMLBMGD-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H31N9O4.C18H18FN7O4.C10H7ClFN5O3.C9H13NO.C8H12N2O.C7H9N.C6H8N2.C5H14N2.C4H8O.2CH2Cl2.2CO2.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;1-18(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;4*2-1-3;;;/h7-9,12-14,33H,10-11H2,1-6H3,(H2,25,26,27,28,29);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;2*1H2;;;1H3;1H;/q;;;;;;;;;;;;;-1;;+2/p-1.
What are the key properties of magnesium;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;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;N,N',N'-trimethylethane-1,2-diamine;bromide?
magnesium;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;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;N,N',N'-trimethylethane-1,2-diamine;bromide has a molecular weight of 2282.72 g/mol, XLogP of 12.75, 27 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;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;2-methylpyridin-3-amine;2-(3-methyl-2-pyridinyl)propan-2-ol;oxolane;N,N',N'-trimethylethane-1,2-diamine;bromide is sourced from PubChem (CID 159066027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).