1-[(2R,5R)-4-fluoro-5-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]oxolan-2-yl]pyrimidine-2,4-dione

C17H17FN2O6 — CID 67647949

IUPAC1-[(2R,5R)-4-fluoro-5-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]oxolan-2-yl]pyrimidine-2,4-dione
SMILESCOc1ccc(C(=O)C(O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)CC2F)cc1
InChIInChI=1S/C17H17FN2O6/c1-25-10-4-2-9(3-5-10)14(22)15(23)16-11(18)8-13(26-16)20-7-6-12(21)19-17(20)24/h2-7,11,13,15-16,23H,8H2,1H3,(H,19,21,24)/t11?,13-,15?,16+/m1/s1
InChIKeyGLVIUZVRONLUDM-FCPNFGHHSA-N
MW364.33 g/mol
LogP0.41
Rot. Bonds5

About 1-[(2R,5R)-4-fluoro-5-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]oxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,5R)-4-fluoro-5-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 67647949) has the molecular formula C17H17FN2O6 and a molecular weight of 364.33 g/mol. Its IUPAC name is 1-[(2R,5R)-4-fluoro-5-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5R)-4-fluoro-5-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID67647949
Molecular FormulaC17H17FN2O6
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name1-[(2R,5R)-4-fluoro-5-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]oxolan-2-yl]pyrimidine-2,4-dione
SMILESCOc1ccc(C(=O)C(O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)CC2F)cc1
InChIInChI=1S/C17H17FN2O6/c1-25-10-4-2-9(3-5-10)14(22)15(23)16-11(18)8-13(26-16)20-7-6-12(21)19-17(20)24/h2-7,11,13,15-16,23H,8H2,1H3,(H,19,21,24)/t11?,13-,15?,16+/m1/s1
InChIKeyGLVIUZVRONLUDM-FCPNFGHHSA-N
XLogP0.41
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(2R,5R)-4-fluoro-5-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]oxolan-2-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(2R,4S,5S)-5-[(S)-chloro(hydroxy)methyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione
CID 54367159
1-[(2R,5S)-5-[chloro(hydroxy)methyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione
CID 67732012
[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methyl benzoate
CID 96884537
1-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70953347
1-[(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione
CID 169068441
1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350
1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione
CID 68699521
1-[5-(2,4-dioxopyrimidin-1-yl)-3-[methoxy(methyl)-λ3-iodanyl]oxolan-2-yl]ethyl dihydrogen phosphate
CID 166548092
1-[(2R,4S,5S)-4-hydroxy-5-(2-hydroxy-3-methylbut-3-enoyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57029343
1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 14562102
1-[4,5-bis(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 123691114
1-[(2R,3R,4R,5R)-4-benzoyl-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione
CID 22981520

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-4-fluoro-5-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5R)-4-fluoro-5-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]oxolan-2-yl]pyrimidine-2,4-dione (CID 67647949) is 1-[(2R,5R)-4-fluoro-5-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5R)-4-fluoro-5-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5R)-4-fluoro-5-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]oxolan-2-yl]pyrimidine-2,4-dione is COc1ccc(C(=O)C(O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)CC2F)cc1.
What is the InChIKey of 1-[(2R,5R)-4-fluoro-5-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is GLVIUZVRONLUDM-FCPNFGHHSA-N. The full InChI is InChI=1S/C17H17FN2O6/c1-25-10-4-2-9(3-5-10)14(22)15(23)16-11(18)8-13(26-16)20-7-6-12(21)19-17(20)24/h2-7,11,13,15-16,23H,8H2,1H3,(H,19,21,24)/t11?,13-,15?,16+/m1/s1.
What are the key properties of 1-[(2R,5R)-4-fluoro-5-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]oxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,5R)-4-fluoro-5-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 364.33 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-4-fluoro-5-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 67647949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).