N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide

C28H39N5O6Si — CID 11555984

About N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide

N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide (PubChem CID 11555984) has the molecular formula C28H39N5O6Si and a molecular weight of 569.74 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide
• PubChem CID: 11555984
• Molecular Formula: C28H39N5O6Si
• Molecular Weight: 569.74 g/mol
• Exact Mass: 569.27
• IUPAC Name: N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide
• SMILES: CCC(=O)N(CCN(C)C)c1nc(OC)c(NC(=O)c2ccc(Oc3cc([Si](C)(C)C)ccc3C)o2)c(OC)n1
• InChI: InChI=1S/C28H39N5O6Si/c1-10-22(34)33(16-15-32(3)4)28-30-26(36-5)24(27(31-28)37-6)29-25(35)20-13-14-23(38-20)39-21-17-19(40(7,8)9)12-11-18(21)2/h11-14,17H,10,15-16H2,1-9H3,(H,29,35)
• InChIKey: NAOBJMGUFDMZGJ-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 119.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.74
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide?

The IUPAC name of N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide (CID 11555984) is N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide.

What is the SMILES notation for N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide?

The canonical SMILES for N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide is CCC(=O)N(CCN(C)C)c1nc(OC)c(NC(=O)c2ccc(Oc3cc([Si](C)(C)C)ccc3C)o2)c(OC)n1.

What is the InChIKey of N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide?

The InChIKey is NAOBJMGUFDMZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O6Si/c1-10-22(34)33(16-15-32(3)4)28-30-26(36-5)24(27(31-28)37-6)29-25(35)20-13-14-23(38-20)39-21-17-19(40(7,8)9)12-11-18(21)2/h11-14,17H,10,15-16H2,1-9H3,(H,29,35).

What are the key properties of N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide?

N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide has a molecular weight of 569.74 g/mol, XLogP of 4.29, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide is sourced from PubChem (CID 11555984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).