magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide

C106H104BBrCl11F5MgN20O15S — CID 158826395

About magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide

magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide (PubChem CID 158826395) has the molecular formula C106H104BBrCl11F5MgN20O15S and a molecular weight of 2530.18 g/mol. Its IUPAC name is magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide.

Molecular Properties

• Compound Name: magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide
• PubChem CID: 158826395
• Molecular Formula: C106H104BBrCl11F5MgN20O15S
• Molecular Weight: 2530.18 g/mol
• Exact Mass: 2522.33
• IUPAC Name: magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide
• SMILES: C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncncc1C(=O)NC[C@H](C)O.C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncncc1C(=O)OC.CC(C)(O)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.CC(C)(O)c1cnc(Cl)cc1Cl.COC(=O)c1cnc(Cl)cc1Cl.COC(=O)c1cncnc1N.C[C@H](O)CN.Nc1ncncc1C(=O)O.OB(O)c1cc(Cl)ccc1F.S.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/C22H21ClFN5O2.C20H16ClFN4O2.C14H12Cl2FNO.C14H10Cl2FN.C8H9Cl2NO.C7H5Cl2NO2.C6H5BClFO2.C6H7N3O2.C5H5N3O2.C3H9NO.CH3.BrH.Mg.H2S/c1-12(2)16-10-26-19(15-6-14(23)4-5-18(15)24)7-20(16)29-21-17(9-25-11-28-21)22(31)27-8-13(3)30;1-11(2)14-9-24-17(13-6-12(21)4-5-16(13)22)7-18(14)26-19-15(20(27)28-3)8-23-10-25-19;1-14(2,19)10-7-18-13(6-11(10)16)9-5-8(15)3-4-12(9)17;1-8(2)11-7-18-14(6-12(11)16)10-5-9(15)3-4-13(10)17;1-8(2,12)5-4-11-7(10)3-6(5)9;1-12-7(11)4-3-10-6(9)2-5(4)8;8-4-1-2-6(9)5(3-4)7(10)11;1-11-6(10)4-2-8-3-9-5(4)7;6-4-3(5(9)10)1-7-2-8-4;1-3(5)2-4;;;;/h4-7,9-11,13,30H,1,8H2,2-3H3,(H,27,31)(H,25,26,28,29);4-10H,1H2,2-3H3,(H,23,24,25,26);3-7,19H,1-2H3;3-7H,1H2,2H3;3-4,12H,1-2H3;2-3H,1H3;1-3,10-11H;2-3H,1H3,(H2,7,8,9);1-2H,(H,9,10)(H2,6,7,8);3,5H,2,4H2,1H3;1H3;1H;;1H2/q;;;;;;;;;;-1;;+2;/p-1/t13-;;;;;;;;;3-;;;;/m0........0..../s1
• InChIKey: RWUNMQATJIAXFS-OAVPHJOBSA-M
• XLogP: 19.83
• TPSA: 549.26 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2530.18
LogP ≤ 5	19.83
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide?

The IUPAC name of magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide (CID 158826395) is magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide.

What is the SMILES notation for magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide?

The canonical SMILES for magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide is C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncncc1C(=O)NC[C@H](C)O.C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncncc1C(=O)OC.CC(C)(O)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.CC(C)(O)c1cnc(Cl)cc1Cl.COC(=O)c1cnc(Cl)cc1Cl.COC(=O)c1cncnc1N.C[C@H](O)CN.Nc1ncncc1C(=O)O.OB(O)c1cc(Cl)ccc1F.S.[Br-].[CH3-].[Mg+2].

What is the InChIKey of magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide?

The InChIKey is RWUNMQATJIAXFS-OAVPHJOBSA-M. The full InChI is InChI=1S/C22H21ClFN5O2.C20H16ClFN4O2.C14H12Cl2FNO.C14H10Cl2FN.C8H9Cl2NO.C7H5Cl2NO2.C6H5BClFO2.C6H7N3O2.C5H5N3O2.C3H9NO.CH3.BrH.Mg.H2S/c1-12(2)16-10-26-19(15-6-14(23)4-5-18(15)24)7-20(16)29-21-17(9-25-11-28-21)22(31)27-8-13(3)30;1-11(2)14-9-24-17(13-6-12(21)4-5-16(13)22)7-18(14)26-19-15(20(27)28-3)8-23-10-25-19;1-14(2,19)10-7-18-13(6-11(10)16)9-5-8(15)3-4-12(9)17;1-8(2)11-7-18-14(6-12(11)16)10-5-9(15)3-4-13(10)17;1-8(2,12)5-4-11-7(10)3-6(5)9;1-12-7(11)4-3-10-6(9)2-5(4)8;8-4-1-2-6(9)5(3-4)7(10)11;1-11-6(10)4-2-8-3-9-5(4)7;6-4-3(5(9)10)1-7-2-8-4;1-3(5)2-4;;;;/h4-7,9-11,13,30H,1,8H2,2-3H3,(H,27,31)(H,25,26,28,29);4-10H,1H2,2-3H3,(H,23,24,25,26);3-7,19H,1-2H3;3-7H,1H2,2H3;3-4,12H,1-2H3;2-3H,1H3;1-3,10-11H;2-3H,1H3,(H2,7,8,9);1-2H,(H,9,10)(H2,6,7,8);3,5H,2,4H2,1H3;1H3;1H;;1H2/q;;;;;;;;;;-1;;+2;/p-1/t13-;;;;;;;;;3-;;;;/m0........0..../s1.

What are the key properties of magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide?

magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide has a molecular weight of 2530.18 g/mol, XLogP of 19.83, 22 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide is sourced from PubChem (CID 158826395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).