1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione

C25H29FN2O4Si — CID 68699521

IUPAC1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione
SMILESCC(C)(C)[Si](OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)CC1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29FN2O4Si/c1-25(2,3)33(18-10-6-4-7-11-18,19-12-8-5-9-13-19)31-17-21-20(26)16-23(32-21)28-15-14-22(29)27-24(28)30/h4-15,20-21,23H,16-17H2,1-3H3,(H,27,29,30)/t20?,21-,23-/m0/s1
InChIKeyXHPAXDNHQFGCEQ-ZXNYFWILSA-N
MW468.60 g/mol
LogP2.74
Rot. Bonds6

About 1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione

1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 68699521) has the molecular formula C25H29FN2O4Si and a molecular weight of 468.60 g/mol. Its IUPAC name is 1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione
PubChem CID68699521
Molecular FormulaC25H29FN2O4Si
Molecular Weight468.60 g/mol
Exact Mass468.19
IUPAC Name1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione
SMILESCC(C)(C)[Si](OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)CC1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29FN2O4Si/c1-25(2,3)33(18-10-6-4-7-11-18,19-12-8-5-9-13-19)31-17-21-20(26)16-23(32-21)28-15-14-22(29)27-24(28)30/h4-15,20-21,23H,16-17H2,1-3H3,(H,27,29,30)/t20?,21-,23-/m0/s1
InChIKeyXHPAXDNHQFGCEQ-ZXNYFWILSA-N
XLogP2.74
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione (CID 68699521) is 1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione is CC(C)(C)[Si](OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)CC1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is XHPAXDNHQFGCEQ-ZXNYFWILSA-N. The full InChI is InChI=1S/C25H29FN2O4Si/c1-25(2,3)33(18-10-6-4-7-11-18,19-12-8-5-9-13-19)31-17-21-20(26)16-23(32-21)28-15-14-22(29)27-24(28)30/h4-15,20-21,23H,16-17H2,1-3H3,(H,27,29,30)/t20?,21-,23-/m0/s1.
What are the key properties of 1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione?
1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 468.60 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 68699521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).