1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one

C10H13FN2O6 — CID 164880886

IUPAC1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one
SMILESCOc1ccn([C@@H]2O[C@](F)(CO)[C@@H](O)[C@H]2O)c(=O)n1
InChIInChI=1S/C10H13FN2O6/c1-18-5-2-3-13(9(17)12-5)8-6(15)7(16)10(11,4-14)19-8/h2-3,6-8,14-16H,4H2,1H3/t6-,7+,8-,10-/m1/s1
InChIKeyRSKIEDXTFMQBSB-IBCQBUCCSA-N
MW276.22 g/mol
LogP-1.84
Rot. Bonds3

About 1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one

1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one (PubChem CID 164880886) has the molecular formula C10H13FN2O6 and a molecular weight of 276.22 g/mol. Its IUPAC name is 1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one.

Molecular Properties

Compound Name1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one
PubChem CID164880886
Molecular FormulaC10H13FN2O6
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one
SMILESCOc1ccn([C@@H]2O[C@](F)(CO)[C@@H](O)[C@H]2O)c(=O)n1
InChIInChI=1S/C10H13FN2O6/c1-18-5-2-3-13(9(17)12-5)8-6(15)7(16)10(11,4-14)19-8/h2-3,6-8,14-16H,4H2,1H3/t6-,7+,8-,10-/m1/s1
InChIKeyRSKIEDXTFMQBSB-IBCQBUCCSA-N
XLogP-1.84
TPSA114.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-propan-2-yloxypyrimidin-2-one
CID 174036024
[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-5-[4-(3-methylbut-2-enoxy)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2-ethylbutanoate
CID 177260929
1-[(1S,2R,4R,5S)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-4-methoxypyrimidin-2-one
CID 21145533
4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]pyrimidin-2-one
CID 66725496
[3-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]methyl propanoate
CID 177261225
5-ethynyl-1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-prop-2-ynoxypyrimidin-2-one
CID 167445838
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(E)-prop-1-enyl]oxolan-2-yl]pyrimidin-2-one
CID 23519674
5-ethynyl-1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(3-methylbut-2-enoxy)pyrimidin-2-one
CID 174036001
2-(dimethylamino)ethyl 3-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxopyrimidine-1-carboxylate
CID 177260973
1-[5-acetyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-aminopyrimidin-2-one
CID 22677602
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-propyloxolan-2-yl]pyrimidin-2-one
CID 23519668
1-[(2R,3S,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]-3-hydroxyoxolan-2-yl]-4-methoxypyrimidin-2-one
CID 71812371

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one?
The IUPAC name of 1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one (CID 164880886) is 1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one.
What is the SMILES notation for 1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one?
The canonical SMILES for 1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one is COc1ccn([C@@H]2O[C@](F)(CO)[C@@H](O)[C@H]2O)c(=O)n1.
What is the InChIKey of 1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one?
The InChIKey is RSKIEDXTFMQBSB-IBCQBUCCSA-N. The full InChI is InChI=1S/C10H13FN2O6/c1-18-5-2-3-13(9(17)12-5)8-6(15)7(16)10(11,4-14)19-8/h2-3,6-8,14-16H,4H2,1H3/t6-,7+,8-,10-/m1/s1.
What are the key properties of 1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one?
1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one has a molecular weight of 276.22 g/mol, XLogP of -1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one is sourced from PubChem (CID 164880886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).