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

C50H62Br2Cl3N9O8Zn — CID 157405509

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

2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N,N-dimethylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-N,N-dimethylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline (PubChem CID 157405509) has the molecular formula C50H62Br2Cl3N9O8Zn and a molecular weight of 1248.66 g/mol. Its IUPAC name is 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N,N-dimethylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-N,N-dimethylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline.

Molecular Properties

• Compound Name: 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N,N-dimethylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-N,N-dimethylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline
• PubChem CID: 157405509
• Molecular Formula: C50H62Br2Cl3N9O8Zn
• Molecular Weight: 1248.66 g/mol
• Exact Mass: 1243.14
• IUPAC Name: 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N,N-dimethylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-N,N-dimethylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline
• SMILES: CCN(CC)CC.CN(C)C(=O)c1ccccc1Oc1nc(Cl)ncc1Br.COc1cc(N)cc(C)c1OC.COc1cc(Nc2ncc(Br)c(Oc3ccccc3C(=O)N(C)C)n2)cc(C)c1OC.Cl[Zn]Cl
• InChI: InChI=1S/C22H23BrN4O4.C13H11BrClN3O2.C9H13NO2.C6H15N.2ClH.Zn/c1-13-10-14(11-18(29-4)19(13)30-5)25-22-24-12-16(23)20(26-22)31-17-9-7-6-8-15(17)21(28)27(2)3;1-18(2)12(19)8-5-3-4-6-10(8)20-11-9(14)7-16-13(15)17-11;1-6-4-7(10)5-8(11-2)9(6)12-3;1-4-7(5-2)6-3;;;/h6-12H,1-5H3,(H,24,25,26);3-7H,1-2H3;4-5H,10H2,1-3H3;4-6H2,1-3H3;2*1H;/q;;;;;;+2/p-2
• InChIKey: BNRBPWSVRNHXPE-UHFFFAOYSA-L
• XLogP: 12.51
• TPSA: 188.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1248.66
LogP ≤ 5	12.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

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-N,N-dimethylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-N,N-dimethylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline?

The IUPAC name of 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N,N-dimethylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-N,N-dimethylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline (CID 157405509) is 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N,N-dimethylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-N,N-dimethylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline.

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

The canonical SMILES for 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N,N-dimethylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-N,N-dimethylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline is CCN(CC)CC.CN(C)C(=O)c1ccccc1Oc1nc(Cl)ncc1Br.COc1cc(N)cc(C)c1OC.COc1cc(Nc2ncc(Br)c(Oc3ccccc3C(=O)N(C)C)n2)cc(C)c1OC.Cl[Zn]Cl.

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

The InChIKey is BNRBPWSVRNHXPE-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H23BrN4O4.C13H11BrClN3O2.C9H13NO2.C6H15N.2ClH.Zn/c1-13-10-14(11-18(29-4)19(13)30-5)25-22-24-12-16(23)20(26-22)31-17-9-7-6-8-15(17)21(28)27(2)3;1-18(2)12(19)8-5-3-4-6-10(8)20-11-9(14)7-16-13(15)17-11;1-6-4-7(10)5-8(11-2)9(6)12-3;1-4-7(5-2)6-3;;;/h6-12H,1-5H3,(H,24,25,26);3-7H,1-2H3;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-N,N-dimethylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-N,N-dimethylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline?

2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N,N-dimethylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-N,N-dimethylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline has a molecular weight of 1248.66 g/mol, XLogP of 12.51, 15 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N,N-dimethylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-N,N-dimethylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline is sourced from PubChem (CID 157405509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).