4-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propa-1,2-dienyloxolan-2-yl]-5-fluoropyrimidin-2-one

C34H46FN3O4Si2 — CID 174058726

About 4-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propa-1,2-dienyloxolan-2-yl]-5-fluoropyrimidin-2-one

4-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propa-1,2-dienyloxolan-2-yl]-5-fluoropyrimidin-2-one (PubChem CID 174058726) has the molecular formula C34H46FN3O4Si2 and a molecular weight of 635.93 g/mol. Its IUPAC name is 4-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propa-1,2-dienyloxolan-2-yl]-5-fluoropyrimidin-2-one.

Molecular Properties

• Compound Name: 4-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propa-1,2-dienyloxolan-2-yl]-5-fluoropyrimidin-2-one
• PubChem CID: 174058726
• Molecular Formula: C34H46FN3O4Si2
• Molecular Weight: 635.93 g/mol
• Exact Mass: 635.30
• IUPAC Name: 4-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propa-1,2-dienyloxolan-2-yl]-5-fluoropyrimidin-2-one
• SMILES: C=C=CC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(n2cc(F)c(N)nc2=O)CC1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C34H46FN3O4Si2/c1-10-21-34(24-40-44(33(5,6)7,25-17-13-11-14-18-25)26-19-15-12-16-20-26)28(42-43(8,9)32(2,3)4)22-29(41-34)38-23-27(35)30(36)37-31(38)39/h11-21,23,28-29H,1,22,24H2,2-9H3,(H2,36,37,39)
• InChIKey: GRQFFGHHCHLUAU-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 88.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.93
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	1
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 4-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propa-1,2-dienyloxolan-2-yl]-5-fluoropyrimidin-2-one?

The IUPAC name of 4-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propa-1,2-dienyloxolan-2-yl]-5-fluoropyrimidin-2-one (CID 174058726) is 4-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propa-1,2-dienyloxolan-2-yl]-5-fluoropyrimidin-2-one.

What is the SMILES notation for 4-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propa-1,2-dienyloxolan-2-yl]-5-fluoropyrimidin-2-one?

The canonical SMILES for 4-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propa-1,2-dienyloxolan-2-yl]-5-fluoropyrimidin-2-one is C=C=CC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(n2cc(F)c(N)nc2=O)CC1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 4-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propa-1,2-dienyloxolan-2-yl]-5-fluoropyrimidin-2-one?

The InChIKey is GRQFFGHHCHLUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46FN3O4Si2/c1-10-21-34(24-40-44(33(5,6)7,25-17-13-11-14-18-25)26-19-15-12-16-20-26)28(42-43(8,9)32(2,3)4)22-29(41-34)38-23-27(35)30(36)37-31(38)39/h11-21,23,28-29H,1,22,24H2,2-9H3,(H2,36,37,39).

What are the key properties of 4-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propa-1,2-dienyloxolan-2-yl]-5-fluoropyrimidin-2-one?

4-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propa-1,2-dienyloxolan-2-yl]-5-fluoropyrimidin-2-one has a molecular weight of 635.93 g/mol, XLogP of 5.93, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propa-1,2-dienyloxolan-2-yl]-5-fluoropyrimidin-2-one is sourced from PubChem (CID 174058726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).