5-fluoro-1-[(2S,5R)-5-(fluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C17H18F2N2O4 — CID 175677980

IUPAC5-fluoro-1-[(2S,5R)-5-(fluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@@H]2CC[C@](CF)(COCc3ccccc3)O2)cc1F
InChIInChI=1S/C17H18F2N2O4/c18-10-17(11-24-9-12-4-2-1-3-5-12)7-6-14(25-17)21-8-13(19)15(22)20-16(21)23/h1-5,8,14H,6-7,9-11H2,(H,20,22,23)/t14-,17-/m0/s1
InChIKeyKZCCCYOMLLCWLS-YOEHRIQHSA-N
MW352.34 g/mol
LogP1.91
Rot. Bonds6

About 5-fluoro-1-[(2S,5R)-5-(fluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

5-fluoro-1-[(2S,5R)-5-(fluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 175677980) has the molecular formula C17H18F2N2O4 and a molecular weight of 352.34 g/mol. Its IUPAC name is 5-fluoro-1-[(2S,5R)-5-(fluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[(2S,5R)-5-(fluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID175677980
Molecular FormulaC17H18F2N2O4
Molecular Weight352.34 g/mol
Exact Mass352.12
IUPAC Name5-fluoro-1-[(2S,5R)-5-(fluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@@H]2CC[C@](CF)(COCc3ccccc3)O2)cc1F
InChIInChI=1S/C17H18F2N2O4/c18-10-17(11-24-9-12-4-2-1-3-5-12)7-6-14(25-17)21-8-13(19)15(22)20-16(21)23/h1-5,8,14H,6-7,9-11H2,(H,20,22,23)/t14-,17-/m0/s1
InChIKeyKZCCCYOMLLCWLS-YOEHRIQHSA-N
XLogP1.91
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-1-[(2R,3R,4S,5R)-5-(fluoromethyl)-3-hydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 169068630
[(2R,3R,4S,5R)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-(fluoromethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] acetate
CID 169068543
1-[5-(fluoromethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 123486478
1-[(2R)-5,5-bis(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
CID 174147547
5-fluoro-1-[(2R,4S,5R)-5-(naphthalen-1-yloxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 70458524
2-O-[[(3aR,4R,6R,6aR)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl] 1-O-benzyl (2S)-pyrrolidine-1,2-dicarboxylate
CID 22821016
5-fluoro-1-(oxolan-2-yl)(213C,1,3-15N2)pyrimidine-2,4-dione
CID 71434333
5-methyl-1-[7-phenylmethoxy-1-(phenylmethoxymethyl)spiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-3-yl]pyrimidine-2,4-dione
CID 144905845
5-fluoro-1-[(2R,4S,5R)-4-iodo-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 46236787
(2R,3S,4R,5R)-4-aminooxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane-2-carboxylic acid
CID 56930953
diazanium;[(1S)-2,2,2-trifluoro-1-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-phenylmethoxyoxolan-2-yl]ethyl] phosphate
CID 162744451
5-fluoro-1-[(2R,4S,5R)-4-[(4-methoxyphenyl)methoxy]-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 10722410

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(2S,5R)-5-(fluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[(2S,5R)-5-(fluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 175677980) is 5-fluoro-1-[(2S,5R)-5-(fluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[(2S,5R)-5-(fluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[(2S,5R)-5-(fluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n([C@@H]2CC[C@](CF)(COCc3ccccc3)O2)cc1F.
What is the InChIKey of 5-fluoro-1-[(2S,5R)-5-(fluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is KZCCCYOMLLCWLS-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H18F2N2O4/c18-10-17(11-24-9-12-4-2-1-3-5-12)7-6-14(25-17)21-8-13(19)15(22)20-16(21)23/h1-5,8,14H,6-7,9-11H2,(H,20,22,23)/t14-,17-/m0/s1.
What are the key properties of 5-fluoro-1-[(2S,5R)-5-(fluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
5-fluoro-1-[(2S,5R)-5-(fluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 352.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(2S,5R)-5-(fluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 175677980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).