2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide

C₂₀H₁₉BrN₄O₅ — CID 118905621

About 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide

2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide (PubChem CID 118905621) has the molecular formula C₂₀H₁₉BrN₄O₅ and a molecular weight of 475.30 g/mol. Its IUPAC name is 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide.

Molecular Properties

• Compound Name: 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide
• PubChem CID: 118905621
• Molecular Formula: C₂₀H₁₉BrN₄O₅
• Molecular Weight: 475.30 g/mol
• Exact Mass: 474.05
• IUPAC Name: 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide
• SMILES: COc1cc(Nc2ncc(Br)c(Oc3ccccc3C(N)=O)n2)cc(OC)c1OC
• InChI: InChI=1S/C20H19BrN4O5/c1-27-15-8-11(9-16(28-2)17(15)29-3)24-20-23-10-13(21)19(25-20)30-14-7-5-4-6-12(14)18(22)26/h4-10H,1-3H3,(H2,22,26)(H,23,24,25)
• InChIKey: DMQQEOHBKQHZHV-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 117.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.30
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide?

The IUPAC name of 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide (CID 118905621) is 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide.

What is the SMILES notation for 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide?

The canonical SMILES for 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide is COc1cc(Nc2ncc(Br)c(Oc3ccccc3C(N)=O)n2)cc(OC)c1OC.

What is the InChIKey of 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide?

The InChIKey is DMQQEOHBKQHZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O5/c1-27-15-8-11(9-16(28-2)17(15)29-3)24-20-23-10-13(21)19(25-20)30-14-7-5-4-6-12(14)18(22)26/h4-10H,1-3H3,(H2,22,26)(H,23,24,25).

What are the key properties of 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide?

2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide has a molecular weight of 475.30 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide is sourced from PubChem (CID 118905621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118905621 — identifiers, structure, computed properties (public domain)

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