5-fluoro-1-[(2R,4S,5R)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]pyrimidine-2,4-dione

C18H21FN2O6 — CID 10833622

IUPAC5-fluoro-1-[(2R,4S,5R)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]pyrimidine-2,4-dione
SMILESCOC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1OCc1ccc(OC)cc1
InChIInChI=1S/C18H21FN2O6/c1-24-10-15-14(26-9-11-3-5-12(25-2)6-4-11)7-16(27-15)21-8-13(19)17(22)20-18(21)23/h3-6,8,14-16H,7,9-10H2,1-2H3,(H,20,22,23)/t14-,15+,16+/m0/s1
InChIKeyXTQOMNFEGYDMCC-ARFHVFGLSA-N
MW380.37 g/mol
LogP1.20
Rot. Bonds7

About 5-fluoro-1-[(2R,4S,5R)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]pyrimidine-2,4-dione

5-fluoro-1-[(2R,4S,5R)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 10833622) has the molecular formula C18H21FN2O6 and a molecular weight of 380.37 g/mol. Its IUPAC name is 5-fluoro-1-[(2R,4S,5R)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[(2R,4S,5R)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID10833622
Molecular FormulaC18H21FN2O6
Molecular Weight380.37 g/mol
Exact Mass380.14
IUPAC Name5-fluoro-1-[(2R,4S,5R)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]pyrimidine-2,4-dione
SMILESCOC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1OCc1ccc(OC)cc1
InChIInChI=1S/C18H21FN2O6/c1-24-10-15-14(26-9-11-3-5-12(25-2)6-4-11)7-16(27-15)21-8-13(19)17(22)20-18(21)23/h3-6,8,14-16H,7,9-10H2,1-2H3,(H,20,22,23)/t14-,15+,16+/m0/s1
InChIKeyXTQOMNFEGYDMCC-ARFHVFGLSA-N
XLogP1.20
TPSA91.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-fluoro-1-[(2R,4S,5R)-4-[(4-methoxyphenyl)methoxy]-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 10722410
5-fluoro-1-[(2S,5S)-5-(hydroxymethyl)-4-[(4-methylphenyl)methoxy]oxolan-2-yl]pyrimidine-2,4-dione
CID 67771904
5-fluoro-1-[(2R,4S,5R)-5-(naphthalen-1-yloxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 70458524
difluoromethane;[3-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite
CID 144900153
1-[(2R,5R)-4-[(4-aminophenyl)methoxymethoxy]-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 174061645
5-iodo-1-[(2R,4S,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70875165
5-iodo-1-[4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 20613084
1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 172642391
[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-(methoxymethyl)oxolan-3-yl] hypoiodite
CID 139373191
[(2S,5S)-3-[(4-chloro-2-fluorophenyl)methoxy]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 70347536
[(2R,3S,5R)-3-[(5-chlorothiophen-2-yl)methoxy]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2R)-2-aminopropanoate;hydrochloride
CID 18643718
[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(methylsulfanylmethoxymethyl)oxolan-3-yl] acetate
CID 10337789

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(2R,4S,5R)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[(2R,4S,5R)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]pyrimidine-2,4-dione (CID 10833622) is 5-fluoro-1-[(2R,4S,5R)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[(2R,4S,5R)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[(2R,4S,5R)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]pyrimidine-2,4-dione is COC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1OCc1ccc(OC)cc1.
What is the InChIKey of 5-fluoro-1-[(2R,4S,5R)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is XTQOMNFEGYDMCC-ARFHVFGLSA-N. The full InChI is InChI=1S/C18H21FN2O6/c1-24-10-15-14(26-9-11-3-5-12(25-2)6-4-11)7-16(27-15)21-8-13(19)17(22)20-18(21)23/h3-6,8,14-16H,7,9-10H2,1-2H3,(H,20,22,23)/t14-,15+,16+/m0/s1.
What are the key properties of 5-fluoro-1-[(2R,4S,5R)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]pyrimidine-2,4-dione?
5-fluoro-1-[(2R,4S,5R)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 380.37 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(2R,4S,5R)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 10833622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).