N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide

C26H35N5O5Si — CID 11620662

About N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide

N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide (PubChem CID 11620662) has the molecular formula C26H35N5O5Si and a molecular weight of 525.68 g/mol. Its IUPAC name is N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide
• PubChem CID: 11620662
• Molecular Formula: C26H35N5O5Si
• Molecular Weight: 525.68 g/mol
• Exact Mass: 525.24
• IUPAC Name: N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide
• SMILES: COc1nc(N2CC(N(C)C)C2)nc(OC)c1NC(=O)c1ccc(Oc2cc([Si](C)(C)C)ccc2C)o1
• InChI: InChI=1S/C26H35N5O5Si/c1-16-9-10-18(37(6,7)8)13-20(16)36-21-12-11-19(35-21)23(32)27-22-24(33-4)28-26(29-25(22)34-5)31-14-17(15-31)30(2)3/h9-13,17H,14-15H2,1-8H3,(H,27,32)
• InChIKey: LJIQQGKXTBQMEV-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 102.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.68
LogP ≤ 5	3.74
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-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide?

The IUPAC name of N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide (CID 11620662) is N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide.

What is the SMILES notation for N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide?

The canonical SMILES for N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide is COc1nc(N2CC(N(C)C)C2)nc(OC)c1NC(=O)c1ccc(Oc2cc([Si](C)(C)C)ccc2C)o1.

What is the InChIKey of N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide?

The InChIKey is LJIQQGKXTBQMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O5Si/c1-16-9-10-18(37(6,7)8)13-20(16)36-21-12-11-19(35-21)23(32)27-22-24(33-4)28-26(29-25(22)34-5)31-14-17(15-31)30(2)3/h9-13,17H,14-15H2,1-8H3,(H,27,32).

What are the key properties of N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide?

N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide has a molecular weight of 525.68 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide is sourced from PubChem (CID 11620662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).