1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C16H27FN2O5Si — CID 57210036

IUPAC1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2O[C@H](CO)[C@](O)([Si](C)(C)C(C)(C)C)[C@H]2F)c(=O)[nH]c1=O
InChIInChI=1S/C16H27FN2O5Si/c1-9-7-19(14(22)18-12(9)21)13-11(17)16(23,10(8-20)24-13)25(5,6)15(2,3)4/h7,10-11,13,20,23H,8H2,1-6H3,(H,18,21,22)/t10-,11+,13-,16+/m1/s1
InChIKeyFUWWPXHELSCUQU-WNCDQNTKSA-N
MW374.49 g/mol
LogP0.85
Rot. Bonds3

About 1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 57210036) has the molecular formula C16H27FN2O5Si and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID57210036
Molecular FormulaC16H27FN2O5Si
Molecular Weight374.49 g/mol
Exact Mass374.17
IUPAC Name1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2O[C@H](CO)[C@](O)([Si](C)(C)C(C)(C)C)[C@H]2F)c(=O)[nH]c1=O
InChIInChI=1S/C16H27FN2O5Si/c1-9-7-19(14(22)18-12(9)21)13-11(17)16(23,10(8-20)24-13)25(5,6)15(2,3)4/h7,10-11,13,20,23H,8H2,1-6H3,(H,18,21,22)/t10-,11+,13-,16+/m1/s1
InChIKeyFUWWPXHELSCUQU-WNCDQNTKSA-N
XLogP0.85
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,3S,4R,5S)-3-fluoro-4,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 134348918
1-[(2R,5S)-3-fluoro-4,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 147254506
1-[(1R,2R,4S,5S)-1-hydroxy-2-(hydroxymethyl)-3,6-dioxabicyclo[3.2.0]heptan-4-yl]-5-methylpyrimidine-2,4-dione
CID 11242666
chloromethane;1-[(3S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 169190487
1-[(2S,4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 166157772
1-[(2R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 163573079
1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-(trifluoromethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10781233
1-[(2R,5S)-5-(hydroxy(113C)methyl)-(2,3,4,5-13C4)2,5-dihydrofuran-2-yl]-5-methyl(613C,1,3-15N2)pyrimidine-2,4-dione
CID 11042603
1-[(2S,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 727961
1-[(2R,3R,4R,5S)-4-(aminomethyl)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 5273626
1-[(2S,3R,5S)-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10685170
1-[3-fluoro-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 91136916

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 57210036) is 1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@@H]2O[C@H](CO)[C@](O)([Si](C)(C)C(C)(C)C)[C@H]2F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is FUWWPXHELSCUQU-WNCDQNTKSA-N. The full InChI is InChI=1S/C16H27FN2O5Si/c1-9-7-19(14(22)18-12(9)21)13-11(17)16(23,10(8-20)24-13)25(5,6)15(2,3)4/h7,10-11,13,20,23H,8H2,1-6H3,(H,18,21,22)/t10-,11+,13-,16+/m1/s1.
What are the key properties of 1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 374.49 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 57210036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).