2-(5-bromo-2-chloropyrimidin-4-yl)oxy-6-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline

C48H58Br2Cl3N9O10Zn — CID 160617268

About 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-6-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline

2-(5-bromo-2-chloropyrimidin-4-yl)oxy-6-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline (PubChem CID 160617268) has the molecular formula C48H58Br2Cl3N9O10Zn and a molecular weight of 1252.60 g/mol. Its IUPAC name is 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-6-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline.

Molecular Properties

• Compound Name: 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-6-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline
• PubChem CID: 160617268
• Molecular Formula: C48H58Br2Cl3N9O10Zn
• Molecular Weight: 1252.60 g/mol
• Exact Mass: 1247.10
• IUPAC Name: 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-6-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline
• SMILES: CCN(CC)CC.CNC(=O)c1c(O)cccc1Oc1nc(Cl)ncc1Br.CNC(=O)c1c(O)cccc1Oc1nc(Nc2cc(C)c(OC)c(OC)c2)ncc1Br.COc1cc(N)cc(C)c1OC.Cl[Zn]Cl
• InChI: InChI=1S/C21H21BrN4O5.C12H9BrClN3O3.C9H13NO2.C6H15N.2ClH.Zn/c1-11-8-12(9-16(29-3)18(11)30-4)25-21-24-10-13(22)20(26-21)31-15-7-5-6-14(27)17(15)19(28)23-2;1-15-10(19)9-7(18)3-2-4-8(9)20-11-6(13)5-16-12(14)17-11;1-6-4-7(10)5-8(11-2)9(6)12-3;1-4-7(5-2)6-3;;;/h5-10,27H,1-4H3,(H,23,28)(H,24,25,26);2-5,18H,1H3,(H,15,19);4-5H,10H2,1-3H3;4-6H2,1-3H3;2*1H;/q;;;;;;+2/p-2
• InChIKey: RGGGPTOGGAHIRD-UHFFFAOYSA-L
• XLogP: 11.23
• TPSA: 246.89 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1252.60
LogP ≤ 5	11.23
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-6-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline?

The IUPAC name of 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-6-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline (CID 160617268) is 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-6-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline.

What is the SMILES notation for 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-6-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline?

The canonical SMILES for 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-6-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline is CCN(CC)CC.CNC(=O)c1c(O)cccc1Oc1nc(Cl)ncc1Br.CNC(=O)c1c(O)cccc1Oc1nc(Nc2cc(C)c(OC)c(OC)c2)ncc1Br.COc1cc(N)cc(C)c1OC.Cl[Zn]Cl.

What is the InChIKey of 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-6-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline?

The InChIKey is RGGGPTOGGAHIRD-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H21BrN4O5.C12H9BrClN3O3.C9H13NO2.C6H15N.2ClH.Zn/c1-11-8-12(9-16(29-3)18(11)30-4)25-21-24-10-13(22)20(26-21)31-15-7-5-6-14(27)17(15)19(28)23-2;1-15-10(19)9-7(18)3-2-4-8(9)20-11-6(13)5-16-12(14)17-11;1-6-4-7(10)5-8(11-2)9(6)12-3;1-4-7(5-2)6-3;;;/h5-10,27H,1-4H3,(H,23,28)(H,24,25,26);2-5,18H,1H3,(H,15,19);4-5H,10H2,1-3H3;4-6H2,1-3H3;2*1H;/q;;;;;;+2/p-2.

What are the key properties of 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-6-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline?

2-(5-bromo-2-chloropyrimidin-4-yl)oxy-6-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline has a molecular weight of 1252.60 g/mol, XLogP of 11.23, 15 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-6-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline is sourced from PubChem (CID 160617268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).