magnesium;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-bromo-5-chloro-4-fluoroaniline;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;2,4-dichloropyrimidine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide

C126H165Br2Cl9F8MgN24O16Sn — CID 162029845

About magnesium;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-bromo-5-chloro-4-fluoroaniline;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;2,4-dichloropyrimidine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide

magnesium;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-bromo-5-chloro-4-fluoroaniline;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;2,4-dichloropyrimidine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide (PubChem CID 162029845) has the molecular formula C126H165Br2Cl9F8MgN24O16Sn and a molecular weight of 3045.74 g/mol. Its IUPAC name is magnesium;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-bromo-5-chloro-4-fluoroaniline;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;2,4-dichloropyrimidine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide.

Molecular Properties

• Compound Name: magnesium;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-bromo-5-chloro-4-fluoroaniline;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;2,4-dichloropyrimidine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide
• PubChem CID: 162029845
• Molecular Formula: C126H165Br2Cl9F8MgN24O16Sn
• Molecular Weight: 3045.74 g/mol
• Exact Mass: 3038.71
• IUPAC Name: magnesium;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-bromo-5-chloro-4-fluoroaniline;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;2,4-dichloropyrimidine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide
• SMILES: C.C1CCOC1.C=C(OCC)[Sn](CCCC)(CCCC)CCCC.CC(=O)c1cc(F)c(Cl)cc1N.CCC(C)(O)c1cc(F)c(Cl)cc1N.CCC(C)(O)c1cc(F)c(Cl)cc1Nc1ccnc(Cl)n1.CCC(C)(O)c1cc(F)c(Cl)cc1Nc1ccnc(Nc2cc([N+](=O)[O-])c(F)cc2OC)n1.CCC(C)(O)c1cc(F)c(Cl)cc1Nc1ccnc(Nc2cc([N+](=O)[O-])c(N3CC[C@@H](N(C)C)C3)cc2OC)n1.CN(C)[C@@H]1CCNC1.COc1cc(F)c([N+](=O)[O-])cc1N.Clc1ccnc(Cl)n1.Nc1cc(Cl)c(F)cc1Br.[Br-].[CH2-]C.[Mg+2]
• InChI: InChI=1S/C27H33ClFN7O4.C21H20ClF2N5O4.C14H14Cl2FN3O.C10H13ClFNO.C8H7ClFNO.C7H7FN2O3.C6H4BrClFN.C6H14N2.C4H2Cl2N2.C4H8O.C4H7O.3C4H9.C2H5.CH4.BrH.Mg.Sn/c1-6-27(2,37)17-11-19(29)18(28)12-20(17)31-25-7-9-30-26(33-25)32-21-13-23(36(38)39)22(14-24(21)40-5)35-10-8-16(15-35)34(3)4;1-4-21(2,30)11-7-13(23)12(22)8-15(11)26-19-5-6-25-20(28-19)27-16-10-17(29(31)32)14(24)9-18(16)33-3;1-3-14(2,21)8-6-10(17)9(15)7-11(8)19-12-4-5-18-13(16)20-12;1-3-10(2,14)6-4-8(12)7(11)5-9(6)13;1-4(12)5-2-7(10)6(9)3-8(5)11;1-13-7-2-4(8)6(10(11)12)3-5(7)9;7-3-1-5(9)4(8)2-6(3)10;1-8(2)6-3-4-7-5-6;5-3-1-2-7-4(6)8-3;1-2-4-5-3-1;1-3-5-4-2;3*1-3-4-2;1-2;;;;/h7,9,11-14,16,37H,6,8,10,15H2,1-5H3,(H2,30,31,32,33);5-10,30H,4H2,1-3H3,(H2,25,26,27,28);4-7,21H,3H2,1-2H3,(H,18,19,20);4-5,14H,3,13H2,1-2H3;2-3H,11H2,1H3;2-3H,9H2,1H3;1-2H,10H2;6-7H,3-5H2,1-2H3;1-2H;1-4H2;1,4H2,2H3;3*1,3-4H2,2H3;1H2,2H3;1H4;1H;;/q;;;;;;;;;;;;;;-1;;;+2;/p-1/t16-,27?;;;;;;;6-;;;;;;;;;;;/m1......1.........../s1
• InChIKey: KRKHUGURSDSXCN-ZBUDZBNUSA-M
• XLogP: 30.75
• TPSA: 562.66 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 37
• Rotatable Bonds: 40
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3045.74
LogP ≤ 5	30.75
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-bromo-5-chloro-4-fluoroaniline;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;2,4-dichloropyrimidine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide?

The IUPAC name of magnesium;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-bromo-5-chloro-4-fluoroaniline;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;2,4-dichloropyrimidine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide (CID 162029845) is magnesium;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-bromo-5-chloro-4-fluoroaniline;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;2,4-dichloropyrimidine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide.

What is the SMILES notation for magnesium;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-bromo-5-chloro-4-fluoroaniline;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;2,4-dichloropyrimidine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide?

The canonical SMILES for magnesium;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-bromo-5-chloro-4-fluoroaniline;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;2,4-dichloropyrimidine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide is C.C1CCOC1.C=C(OCC)[Sn](CCCC)(CCCC)CCCC.CC(=O)c1cc(F)c(Cl)cc1N.CCC(C)(O)c1cc(F)c(Cl)cc1N.CCC(C)(O)c1cc(F)c(Cl)cc1Nc1ccnc(Cl)n1.CCC(C)(O)c1cc(F)c(Cl)cc1Nc1ccnc(Nc2cc([N+](=O)[O-])c(F)cc2OC)n1.CCC(C)(O)c1cc(F)c(Cl)cc1Nc1ccnc(Nc2cc([N+](=O)[O-])c(N3CC[C@@H](N(C)C)C3)cc2OC)n1.CN(C)[C@@H]1CCNC1.COc1cc(F)c([N+](=O)[O-])cc1N.Clc1ccnc(Cl)n1.Nc1cc(Cl)c(F)cc1Br.[Br-].[CH2-]C.[Mg+2].

What is the InChIKey of magnesium;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-bromo-5-chloro-4-fluoroaniline;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;2,4-dichloropyrimidine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide?

The InChIKey is KRKHUGURSDSXCN-ZBUDZBNUSA-M. The full InChI is InChI=1S/C27H33ClFN7O4.C21H20ClF2N5O4.C14H14Cl2FN3O.C10H13ClFNO.C8H7ClFNO.C7H7FN2O3.C6H4BrClFN.C6H14N2.C4H2Cl2N2.C4H8O.C4H7O.3C4H9.C2H5.CH4.BrH.Mg.Sn/c1-6-27(2,37)17-11-19(29)18(28)12-20(17)31-25-7-9-30-26(33-25)32-21-13-23(36(38)39)22(14-24(21)40-5)35-10-8-16(15-35)34(3)4;1-4-21(2,30)11-7-13(23)12(22)8-15(11)26-19-5-6-25-20(28-19)27-16-10-17(29(31)32)14(24)9-18(16)33-3;1-3-14(2,21)8-6-10(17)9(15)7-11(8)19-12-4-5-18-13(16)20-12;1-3-10(2,14)6-4-8(12)7(11)5-9(6)13;1-4(12)5-2-7(10)6(9)3-8(5)11;1-13-7-2-4(8)6(10(11)12)3-5(7)9;7-3-1-5(9)4(8)2-6(3)10;1-8(2)6-3-4-7-5-6;5-3-1-2-7-4(6)8-3;1-2-4-5-3-1;1-3-5-4-2;3*1-3-4-2;1-2;;;;/h7,9,11-14,16,37H,6,8,10,15H2,1-5H3,(H2,30,31,32,33);5-10,30H,4H2,1-3H3,(H2,25,26,27,28);4-7,21H,3H2,1-2H3,(H,18,19,20);4-5,14H,3,13H2,1-2H3;2-3H,11H2,1H3;2-3H,9H2,1H3;1-2H,10H2;6-7H,3-5H2,1-2H3;1-2H;1-4H2;1,4H2,2H3;3*1,3-4H2,2H3;1H2,2H3;1H4;1H;;/q;;;;;;;;;;;;;;-1;;;+2;/p-1/t16-,27?;;;;;;;6-;;;;;;;;;;;/m1......1.........../s1.

What are the key properties of magnesium;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-bromo-5-chloro-4-fluoroaniline;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;2,4-dichloropyrimidine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide?

magnesium;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-bromo-5-chloro-4-fluoroaniline;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;2,4-dichloropyrimidine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide has a molecular weight of 3045.74 g/mol, XLogP of 30.75, 40 rotatable bonds, 14 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;2-(2-amino-4-chloro-5-fluorophenyl)butan-2-ol;1-(2-amino-4-chloro-5-fluorophenyl)ethanone;2-bromo-5-chloro-4-fluoroaniline;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]butan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]butan-2-ol;2,4-dichloropyrimidine;(3R)-N,N-dimethylpyrrolidin-3-amine;ethane;4-fluoro-2-methoxy-5-nitroaniline;methane;oxolane;tributyl(1-ethoxyethenyl)stannane;bromide is sourced from PubChem (CID 162029845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).