N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]furan-2-carboxamide

C₂₆H₃₆N₄O₅Si — CID 11341241

About N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]furan-2-carboxamide

N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]furan-2-carboxamide (PubChem CID 11341241) has the molecular formula C₂₆H₃₆N₄O₅Si and a molecular weight of 512.68 g/mol. Its IUPAC name is N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]furan-2-carboxamide
• PubChem CID: 11341241
• Molecular Formula: C₂₆H₃₆N₄O₅Si
• Molecular Weight: 512.68 g/mol
• Exact Mass: 512.25
• IUPAC Name: N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]furan-2-carboxamide
• SMILES: CNc1nc(OC)c(NC(=O)c2ccc(Oc3cc([Si](C)(C)CC(C)(C)C)ccc3C)o2)c(OC)n1
• InChI: InChI=1S/C26H36N4O5Si/c1-16-10-11-17(36(8,9)15-26(2,3)4)14-19(16)35-20-13-12-18(34-20)22(31)28-21-23(32-6)29-25(27-5)30-24(21)33-7/h10-14H,15H2,1-9H3,(H,28,31)(H,27,29,30)
• InChIKey: NUPXIIUDFGSOEK-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 107.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.68
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]furan-2-carboxamide?

The IUPAC name of N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]furan-2-carboxamide (CID 11341241) is N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]furan-2-carboxamide.

What is the SMILES notation for N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]furan-2-carboxamide?

The canonical SMILES for N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]furan-2-carboxamide is CNc1nc(OC)c(NC(=O)c2ccc(Oc3cc([Si](C)(C)CC(C)(C)C)ccc3C)o2)c(OC)n1.

What is the InChIKey of N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]furan-2-carboxamide?

The InChIKey is NUPXIIUDFGSOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O5Si/c1-16-10-11-17(36(8,9)15-26(2,3)4)14-19(16)35-20-13-12-18(34-20)22(31)28-21-23(32-6)29-25(27-5)30-24(21)33-7/h10-14H,15H2,1-9H3,(H,28,31)(H,27,29,30).

What are the key properties of N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]furan-2-carboxamide?

N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]furan-2-carboxamide has a molecular weight of 512.68 g/mol, XLogP of 5.44, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]furan-2-carboxamide is sourced from PubChem (CID 11341241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11341241 — identifiers, structure, computed properties (public domain)

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