N-[2-[4-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-2-ynoxy]ethyl]-2,2,2-trifluoroacetamide

C23H34F3N3O7Si — CID 16742622

About N-[2-[4-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-2-ynoxy]ethyl]-2,2,2-trifluoroacetamide

N-[2-[4-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-2-ynoxy]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 16742622) has the molecular formula C23H34F3N3O7Si and a molecular weight of 549.62 g/mol. Its IUPAC name is N-[2-[4-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-2-ynoxy]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: N-[2-[4-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-2-ynoxy]ethyl]-2,2,2-trifluoroacetamide
• PubChem CID: 16742622
• Molecular Formula: C23H34F3N3O7Si
• Molecular Weight: 549.62 g/mol
• Exact Mass: 549.21
• IUPAC Name: N-[2-[4-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-2-ynoxy]ethyl]-2,2,2-trifluoroacetamide
• SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cc(CC#CCOCCNC(=O)C(F)(F)F)c(=O)[nH]c2=O)C[C@@H]1O
• InChI: InChI=1S/C23H34F3N3O7Si/c1-22(2,3)37(4,5)35-14-17-16(30)12-18(36-17)29-13-15(19(31)28-21(29)33)8-6-7-10-34-11-9-27-20(32)23(24,25)26/h13,16-18,30H,8-12,14H2,1-5H3,(H,27,32)(H,28,31,33)/t16-,17+,18+/m0/s1
• InChIKey: XRDVUORDZHAYGA-RCCFBDPRSA-N
• XLogP: 1.45
• TPSA: 131.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.62
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-2-ynoxy]ethyl]-2,2,2-trifluoroacetamide?

The IUPAC name of N-[2-[4-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-2-ynoxy]ethyl]-2,2,2-trifluoroacetamide (CID 16742622) is N-[2-[4-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-2-ynoxy]ethyl]-2,2,2-trifluoroacetamide.

What is the SMILES notation for N-[2-[4-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-2-ynoxy]ethyl]-2,2,2-trifluoroacetamide?

The canonical SMILES for N-[2-[4-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-2-ynoxy]ethyl]-2,2,2-trifluoroacetamide is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cc(CC#CCOCCNC(=O)C(F)(F)F)c(=O)[nH]c2=O)C[C@@H]1O.

What is the InChIKey of N-[2-[4-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-2-ynoxy]ethyl]-2,2,2-trifluoroacetamide?

The InChIKey is XRDVUORDZHAYGA-RCCFBDPRSA-N. The full InChI is InChI=1S/C23H34F3N3O7Si/c1-22(2,3)37(4,5)35-14-17-16(30)12-18(36-17)29-13-15(19(31)28-21(29)33)8-6-7-10-34-11-9-27-20(32)23(24,25)26/h13,16-18,30H,8-12,14H2,1-5H3,(H,27,32)(H,28,31,33)/t16-,17+,18+/m0/s1.

What are the key properties of N-[2-[4-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-2-ynoxy]ethyl]-2,2,2-trifluoroacetamide?

N-[2-[4-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-2-ynoxy]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 549.62 g/mol, XLogP of 1.45, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-2-ynoxy]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 16742622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).