1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]pyrimidine-2,4-dione

C10H13FN2O5 — CID 54381271

IUPAC1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESCO[C@]1(CO)O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1F
InChIInChI=1S/C10H13FN2O5/c1-17-10(5-14)6(11)4-8(18-10)13-3-2-7(15)12-9(13)16/h2-3,6,8,14H,4-5H2,1H3,(H,12,15,16)/t6-,8+,10+/m0/s1
InChIKeyVABMZSBISCHAEG-SKWCMTHISA-N
MW260.22 g/mol
LogP-0.87
Rot. Bonds3

About 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 54381271) has the molecular formula C10H13FN2O5 and a molecular weight of 260.22 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]pyrimidine-2,4-dione
PubChem CID54381271
Molecular FormulaC10H13FN2O5
Molecular Weight260.22 g/mol
Exact Mass260.08
IUPAC Name1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESCO[C@]1(CO)O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1F
InChIInChI=1S/C10H13FN2O5/c1-17-10(5-14)6(11)4-8(18-10)13-3-2-7(15)12-9(13)16/h2-3,6,8,14H,4-5H2,1H3,(H,12,15,16)/t6-,8+,10+/m0/s1
InChIKeyVABMZSBISCHAEG-SKWCMTHISA-N
XLogP-0.87
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(2R,4S)-5,5-bis(hydroxymethyl)-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 169068397
[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-2-methoxyoxolan-3-yl]oxy-oxo-sulfanylphosphanium
CID 130469164
1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 25050618
1-[(2R,5R)-5-fluoro-5-(hydroxymethyl)-3,3-dimethyloxolan-2-yl]pyrimidine-2,4-dione
CID 155149149
1-[(1S,3R)-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione
CID 67875653
1-[(2R,3R,4R,5R)-5-ethoxy-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118191352
[(3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-methoxy-2-(trifluoromethylsulfonyloxymethyl)oxolan-2-yl]methyl trifluoromethanesulfonate
CID 169068547
1-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57148783
1-[5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 19775087
[[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate
CID 123502933
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 510970
1-[(2R,4S)-5,5-diethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 170212798

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]pyrimidine-2,4-dione (CID 54381271) is 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]pyrimidine-2,4-dione is CO[C@]1(CO)O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1F.
What is the InChIKey of 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is VABMZSBISCHAEG-SKWCMTHISA-N. The full InChI is InChI=1S/C10H13FN2O5/c1-17-10(5-14)6(11)4-8(18-10)13-3-2-7(15)12-9(13)16/h2-3,6,8,14H,4-5H2,1H3,(H,12,15,16)/t6-,8+,10+/m0/s1.
What are the key properties of 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 260.22 g/mol, XLogP of -0.87, 3 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-fluoro-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 54381271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).