5-fluoro-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methyl-2,3-dihydrofuran-2-yl]-2-sulfanylidenepyrimidin-4-one

C10H11FN2O4S — CID 166116519

IUPAC5-fluoro-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methyl-2,3-dihydrofuran-2-yl]-2-sulfanylidenepyrimidin-4-one
SMILESCC1C(O)=C(CO)O[C@H]1n1cc(F)c(=O)[nH]c1=S
InChIInChI=1S/C10H11FN2O4S/c1-4-7(15)6(3-14)17-9(4)13-2-5(11)8(16)12-10(13)18/h2,4,9,14-15H,3H2,1H3,(H,12,16,18)/t4?,9-/m1/s1
InChIKeySBDUKQBTWNPBOF-KISVTORNSA-N
MW274.27 g/mol
LogP0.97
Rot. Bonds2

About 5-fluoro-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methyl-2,3-dihydrofuran-2-yl]-2-sulfanylidenepyrimidin-4-one

5-fluoro-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methyl-2,3-dihydrofuran-2-yl]-2-sulfanylidenepyrimidin-4-one (PubChem CID 166116519) has the molecular formula C10H11FN2O4S and a molecular weight of 274.27 g/mol. Its IUPAC name is 5-fluoro-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methyl-2,3-dihydrofuran-2-yl]-2-sulfanylidenepyrimidin-4-one.

Molecular Properties

Compound Name5-fluoro-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methyl-2,3-dihydrofuran-2-yl]-2-sulfanylidenepyrimidin-4-one
PubChem CID166116519
Molecular FormulaC10H11FN2O4S
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC Name5-fluoro-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methyl-2,3-dihydrofuran-2-yl]-2-sulfanylidenepyrimidin-4-one
SMILESCC1C(O)=C(CO)O[C@H]1n1cc(F)c(=O)[nH]c1=S
InChIInChI=1S/C10H11FN2O4S/c1-4-7(15)6(3-14)17-9(4)13-2-5(11)8(16)12-10(13)18/h2,4,9,14-15H,3H2,1H3,(H,12,16,18)/t4?,9-/m1/s1
InChIKeySBDUKQBTWNPBOF-KISVTORNSA-N
XLogP0.97
TPSA87.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one
CID 123994042
CID 171528701
CID 171528701
CID 166116491
CID 166116491
5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 163529144
5-fluoro-1-[(5S)-5-hydroxyoxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;trihydroxy(hydroxymethoxy)phosphanium
CID 171529062
5-(aminomethyl)-1-[(6R)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]-2-sulfanylidenepyrimidin-4-one
CID 154473276
1-[(2R,4S,5R)-3-ethynyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-2-sulfanylidenepyrimidin-4-one
CID 122449969
1-[(3aS,4S,6S,6aS)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-(hydroxymethyl)-2-sulfanylidenepyrimidin-4-one
CID 125463356
1-[(2R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro(213C,1,3-15N2)pyrimidine-2,4-dione
CID 71315472
5-fluoro-1-[(2S,3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrimidine-2,4-dione
CID 69003717
1-[(2S,3R,5S)-4,4-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 11716120
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 174150744

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methyl-2,3-dihydrofuran-2-yl]-2-sulfanylidenepyrimidin-4-one?
The IUPAC name of 5-fluoro-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methyl-2,3-dihydrofuran-2-yl]-2-sulfanylidenepyrimidin-4-one (CID 166116519) is 5-fluoro-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methyl-2,3-dihydrofuran-2-yl]-2-sulfanylidenepyrimidin-4-one.
What is the SMILES notation for 5-fluoro-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methyl-2,3-dihydrofuran-2-yl]-2-sulfanylidenepyrimidin-4-one?
The canonical SMILES for 5-fluoro-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methyl-2,3-dihydrofuran-2-yl]-2-sulfanylidenepyrimidin-4-one is CC1C(O)=C(CO)O[C@H]1n1cc(F)c(=O)[nH]c1=S.
What is the InChIKey of 5-fluoro-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methyl-2,3-dihydrofuran-2-yl]-2-sulfanylidenepyrimidin-4-one?
The InChIKey is SBDUKQBTWNPBOF-KISVTORNSA-N. The full InChI is InChI=1S/C10H11FN2O4S/c1-4-7(15)6(3-14)17-9(4)13-2-5(11)8(16)12-10(13)18/h2,4,9,14-15H,3H2,1H3,(H,12,16,18)/t4?,9-/m1/s1.
What are the key properties of 5-fluoro-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methyl-2,3-dihydrofuran-2-yl]-2-sulfanylidenepyrimidin-4-one?
5-fluoro-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methyl-2,3-dihydrofuran-2-yl]-2-sulfanylidenepyrimidin-4-one has a molecular weight of 274.27 g/mol, XLogP of 0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methyl-2,3-dihydrofuran-2-yl]-2-sulfanylidenepyrimidin-4-one is sourced from PubChem (CID 166116519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).