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

C52H62Br2Cl3N9O8Zn — CID 161162543

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

2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-cyclopropylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-N-cyclopropylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline (PubChem CID 161162543) has the molecular formula C52H62Br2Cl3N9O8Zn and a molecular weight of 1272.68 g/mol. Its IUPAC name is 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-cyclopropylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-N-cyclopropylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline.

Molecular Properties

• Compound Name: 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-cyclopropylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-N-cyclopropylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline
• PubChem CID: 161162543
• Molecular Formula: C52H62Br2Cl3N9O8Zn
• Molecular Weight: 1272.68 g/mol
• Exact Mass: 1267.14
• IUPAC Name: 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-cyclopropylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-N-cyclopropylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline
• SMILES: CCN(CC)CC.COc1cc(N)cc(C)c1OC.COc1cc(Nc2ncc(Br)c(Oc3ccccc3C(=O)NC3CC3)n2)cc(C)c1OC.Cl[Zn]Cl.O=C(NC1CC1)c1ccccc1Oc1nc(Cl)ncc1Br
• InChI: InChI=1S/C23H23BrN4O4.C14H11BrClN3O2.C9H13NO2.C6H15N.2ClH.Zn/c1-13-10-15(11-19(30-2)20(13)31-3)27-23-25-12-17(24)22(28-23)32-18-7-5-4-6-16(18)21(29)26-14-8-9-14;15-10-7-17-14(16)19-13(10)21-11-4-2-1-3-9(11)12(20)18-8-5-6-8;1-6-4-7(10)5-8(11-2)9(6)12-3;1-4-7(5-2)6-3;;;/h4-7,10-12,14H,8-9H2,1-3H3,(H,26,29)(H,25,27,28);1-4,7-8H,5-6H2,(H,18,20);4-5H,10H2,1-3H3;4-6H2,1-3H3;2*1H;/q;;;;;;+2/p-2
• InChIKey: UQCMYYJQNFOASS-UHFFFAOYSA-L
• XLogP: 12.89
• TPSA: 206.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1272.68
LogP ≤ 5	12.89
H-Bond Donors ≤ 5	4
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-cyclopropylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-N-cyclopropylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline?

The IUPAC name of 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-cyclopropylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-N-cyclopropylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline (CID 161162543) is 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-cyclopropylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-N-cyclopropylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline.

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

The canonical SMILES for 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-cyclopropylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-N-cyclopropylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline is CCN(CC)CC.COc1cc(N)cc(C)c1OC.COc1cc(Nc2ncc(Br)c(Oc3ccccc3C(=O)NC3CC3)n2)cc(C)c1OC.Cl[Zn]Cl.O=C(NC1CC1)c1ccccc1Oc1nc(Cl)ncc1Br.

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

The InChIKey is UQCMYYJQNFOASS-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H23BrN4O4.C14H11BrClN3O2.C9H13NO2.C6H15N.2ClH.Zn/c1-13-10-15(11-19(30-2)20(13)31-3)27-23-25-12-17(24)22(28-23)32-18-7-5-4-6-16(18)21(29)26-14-8-9-14;15-10-7-17-14(16)19-13(10)21-11-4-2-1-3-9(11)12(20)18-8-5-6-8;1-6-4-7(10)5-8(11-2)9(6)12-3;1-4-7(5-2)6-3;;;/h4-7,10-12,14H,8-9H2,1-3H3,(H,26,29)(H,25,27,28);1-4,7-8H,5-6H2,(H,18,20);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-cyclopropylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-N-cyclopropylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline?

2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-cyclopropylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-N-cyclopropylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline has a molecular weight of 1272.68 g/mol, XLogP of 12.89, 17 rotatable bonds, 4 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-cyclopropylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-N-cyclopropylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline is sourced from PubChem (CID 161162543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).