1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione

C16H27FN2O5Si — CID 162744545

IUPAC1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
SMILESC[C@@H](O)[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H27FN2O5Si/c1-9(20)13-11(24-25(5,6)16(2,3)4)7-12(23-13)19-8-10(17)14(21)18-15(19)22/h8-9,11-13,20H,7H2,1-6H3,(H,18,21,22)/t9-,11+,12-,13-/m1/s1
InChIKeyZEYDWAVGKFTMMM-GWNIPJSYSA-N
MW374.49 g/mol
LogP1.73
Rot. Bonds4

About 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione

1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione (PubChem CID 162744545) has the molecular formula C16H27FN2O5Si and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
PubChem CID162744545
Molecular FormulaC16H27FN2O5Si
Molecular Weight374.49 g/mol
Exact Mass374.17
IUPAC Name1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
SMILESC[C@@H](O)[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H27FN2O5Si/c1-9(20)13-11(24-25(5,6)16(2,3)4)7-12(23-13)19-8-10(17)14(21)18-15(19)22/h8-9,11-13,20H,7H2,1-6H3,(H,18,21,22)/t9-,11+,12-,13-/m1/s1
InChIKeyZEYDWAVGKFTMMM-GWNIPJSYSA-N
XLogP1.73
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-1-[(2R,5R)-4-hydroxy-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione
CID 162705739
5-(2-bromoethenyl)-1-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[hydroxy(methoxy)methyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 173088850
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxy-2-nitroethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11133477
[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-[(1S)-1-phosphonooxyethyl]oxolan-3-yl] acetate
CID 162744337
methyl (2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylate
CID 164745352
1-[(2R,4S,5R)-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 175678261
[(2R,3S,5R)-3-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate
CID 162661640
3-[(2R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanoic acid
CID 57251904
1-[(2R,4S,5R)-5-[bis[di(propan-2-yl)amino]phosphanyloxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 101468293
(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxamide
CID 158180539
[(S)-[(2S,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-hydroxymethyl]phosphonic acid
CID 101004656
[(2S,3S,5R)-2-(chloromethyl)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate
CID 18667133

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione (CID 162744545) is 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione is C[C@@H](O)[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is ZEYDWAVGKFTMMM-GWNIPJSYSA-N. The full InChI is InChI=1S/C16H27FN2O5Si/c1-9(20)13-11(24-25(5,6)16(2,3)4)7-12(23-13)19-8-10(17)14(21)18-15(19)22/h8-9,11-13,20H,7H2,1-6H3,(H,18,21,22)/t9-,11+,12-,13-/m1/s1.
What are the key properties of 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione?
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 374.49 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 162744545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).