N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]-5-(2-trimethylsilylpyrimidin-4-yl)oxyfuran-2-carboxamide

C25H35N7O6Si — CID 11685462

About N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]-5-(2-trimethylsilylpyrimidin-4-yl)oxyfuran-2-carboxamide

N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]-5-(2-trimethylsilylpyrimidin-4-yl)oxyfuran-2-carboxamide (PubChem CID 11685462) has the molecular formula C25H35N7O6Si and a molecular weight of 557.68 g/mol. Its IUPAC name is N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]-5-(2-trimethylsilylpyrimidin-4-yl)oxyfuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]-5-(2-trimethylsilylpyrimidin-4-yl)oxyfuran-2-carboxamide
• PubChem CID: 11685462
• Molecular Formula: C25H35N7O6Si
• Molecular Weight: 557.68 g/mol
• Exact Mass: 557.24
• IUPAC Name: N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]-5-(2-trimethylsilylpyrimidin-4-yl)oxyfuran-2-carboxamide
• SMILES: COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2ccnc([Si](C)(C)C)n2)o1
• InChI: InChI=1S/C25H35N7O6Si/c1-34-22-20(23(35-2)31-24(30-22)26-10-6-12-32-13-15-36-16-14-32)29-21(33)17-7-8-19(37-17)38-18-9-11-27-25(28-18)39(3,4)5/h7-9,11H,6,10,12-16H2,1-5H3,(H,29,33)(H,26,30,31)
• InChIKey: RYLYHZPPEKOFBY-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 145.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.68
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]-5-(2-trimethylsilylpyrimidin-4-yl)oxyfuran-2-carboxamide?

The IUPAC name of N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]-5-(2-trimethylsilylpyrimidin-4-yl)oxyfuran-2-carboxamide (CID 11685462) is N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]-5-(2-trimethylsilylpyrimidin-4-yl)oxyfuran-2-carboxamide.

What is the SMILES notation for N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]-5-(2-trimethylsilylpyrimidin-4-yl)oxyfuran-2-carboxamide?

The canonical SMILES for N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]-5-(2-trimethylsilylpyrimidin-4-yl)oxyfuran-2-carboxamide is COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2ccnc([Si](C)(C)C)n2)o1.

What is the InChIKey of N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]-5-(2-trimethylsilylpyrimidin-4-yl)oxyfuran-2-carboxamide?

The InChIKey is RYLYHZPPEKOFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O6Si/c1-34-22-20(23(35-2)31-24(30-22)26-10-6-12-32-13-15-36-16-14-32)29-21(33)17-7-8-19(37-17)38-18-9-11-27-25(28-18)39(3,4)5/h7-9,11H,6,10,12-16H2,1-5H3,(H,29,33)(H,26,30,31).

What are the key properties of N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]-5-(2-trimethylsilylpyrimidin-4-yl)oxyfuran-2-carboxamide?

N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]-5-(2-trimethylsilylpyrimidin-4-yl)oxyfuran-2-carboxamide has a molecular weight of 557.68 g/mol, XLogP of 2.60, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]-5-(2-trimethylsilylpyrimidin-4-yl)oxyfuran-2-carboxamide is sourced from PubChem (CID 11685462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).