N-[1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide

C23H39F2N3O5Si — CID 174057820

About N-[1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide

N-[1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide (PubChem CID 174057820) has the molecular formula C23H39F2N3O5Si and a molecular weight of 503.66 g/mol. Its IUPAC name is N-[1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide.

Molecular Properties

• Compound Name: N-[1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide
• PubChem CID: 174057820
• Molecular Formula: C23H39F2N3O5Si
• Molecular Weight: 503.66 g/mol
• Exact Mass: 503.26
• IUPAC Name: N-[1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide
• SMILES: CCCC(CCC)C(=O)Nc1ccn([C@]2([SiH](C)C)O[C@H](CO)[C@@H](OC(C)(C)C)C2(F)F)c(=O)n1
• InChI: InChI=1S/C23H39F2N3O5Si/c1-8-10-15(11-9-2)19(30)26-17-12-13-28(20(31)27-17)23(34(6)7)22(24,25)18(16(14-29)32-23)33-21(3,4)5/h12-13,15-16,18,29,34H,8-11,14H2,1-7H3,(H,26,27,30,31)/t16-,18-,23+/m1/s1
• InChIKey: LEKTYRCANSVTAZ-UQNRQAKVSA-N
• XLogP: 3.29
• TPSA: 102.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.66
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide?

The IUPAC name of N-[1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide (CID 174057820) is N-[1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide.

What is the SMILES notation for N-[1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide?

The canonical SMILES for N-[1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide is CCCC(CCC)C(=O)Nc1ccn([C@]2([SiH](C)C)O[C@H](CO)[C@@H](OC(C)(C)C)C2(F)F)c(=O)n1.

What is the InChIKey of N-[1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide?

The InChIKey is LEKTYRCANSVTAZ-UQNRQAKVSA-N. The full InChI is InChI=1S/C23H39F2N3O5Si/c1-8-10-15(11-9-2)19(30)26-17-12-13-28(20(31)27-17)23(34(6)7)22(24,25)18(16(14-29)32-23)33-21(3,4)5/h12-13,15-16,18,29,34H,8-11,14H2,1-7H3,(H,26,27,30,31)/t16-,18-,23+/m1/s1.

What are the key properties of N-[1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide?

N-[1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide has a molecular weight of 503.66 g/mol, XLogP of 3.29, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide is sourced from PubChem (CID 174057820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).