1-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(chloromethyl)-3,3-difluorooxolan-2-yl]pyrimidine-2,4-dione

C16H25ClF2N2O4Si — CID 174067509

IUPAC1-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(chloromethyl)-3,3-difluorooxolan-2-yl]pyrimidine-2,4-dione
SMILESCC(C)(C)[Si](C)(C)OC[C@]1(CCl)CC(F)(F)[C@H](n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C16H25ClF2N2O4Si/c1-14(2,3)26(4,5)24-10-15(9-17)8-16(18,19)12(25-15)21-7-6-11(22)20-13(21)23/h6-7,12H,8-10H2,1-5H3,(H,20,22,23)/t12-,15-/m1/s1
InChIKeyURHBPMGLMWIKJZ-IUODEOHRSA-N
MW410.92 g/mol
LogP3.09
Rot. Bonds5

About 1-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(chloromethyl)-3,3-difluorooxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(chloromethyl)-3,3-difluorooxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 174067509) has the molecular formula C16H25ClF2N2O4Si and a molecular weight of 410.92 g/mol. Its IUPAC name is 1-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(chloromethyl)-3,3-difluorooxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(chloromethyl)-3,3-difluorooxolan-2-yl]pyrimidine-2,4-dione
PubChem CID174067509
Molecular FormulaC16H25ClF2N2O4Si
Molecular Weight410.92 g/mol
Exact Mass410.12
IUPAC Name1-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(chloromethyl)-3,3-difluorooxolan-2-yl]pyrimidine-2,4-dione
SMILESCC(C)(C)[Si](C)(C)OC[C@]1(CCl)CC(F)(F)[C@H](n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C16H25ClF2N2O4Si/c1-14(2,3)26(4,5)24-10-15(9-17)8-16(18,19)12(25-15)21-7-6-11(22)20-13(21)23/h6-7,12H,8-10H2,1-5H3,(H,20,22,23)/t12-,15-/m1/s1
InChIKeyURHBPMGLMWIKJZ-IUODEOHRSA-N
XLogP3.09
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,5S)-5-(chloromethyl)-3,3-difluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 162618608
1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(chloromethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 174115599
1-[(2R,4R,5R)-3,3-dibromo-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 141489547
1-[3,3-difluoro-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 123360524
1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyl-4-prop-2-enoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 140866833
1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 159954430
1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70641681
1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloro-5-ethyloxolan-2-yl]pyrimidine-2,4-dione
CID 140703890
1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
CID 20744743
1-[(2R,3R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]pyrimidine-2,4-dione
CID 174010647
1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 67457364
1-[(2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 57150410

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(chloromethyl)-3,3-difluorooxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(chloromethyl)-3,3-difluorooxolan-2-yl]pyrimidine-2,4-dione (CID 174067509) is 1-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(chloromethyl)-3,3-difluorooxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(chloromethyl)-3,3-difluorooxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(chloromethyl)-3,3-difluorooxolan-2-yl]pyrimidine-2,4-dione is CC(C)(C)[Si](C)(C)OC[C@]1(CCl)CC(F)(F)[C@H](n2ccc(=O)[nH]c2=O)O1.
What is the InChIKey of 1-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(chloromethyl)-3,3-difluorooxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is URHBPMGLMWIKJZ-IUODEOHRSA-N. The full InChI is InChI=1S/C16H25ClF2N2O4Si/c1-14(2,3)26(4,5)24-10-15(9-17)8-16(18,19)12(25-15)21-7-6-11(22)20-13(21)23/h6-7,12H,8-10H2,1-5H3,(H,20,22,23)/t12-,15-/m1/s1.
What are the key properties of 1-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(chloromethyl)-3,3-difluorooxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(chloromethyl)-3,3-difluorooxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 410.92 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(chloromethyl)-3,3-difluorooxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 174067509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).