5-fluoro-1-[(3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione

C9H10F2N2O5 — CID 46874925

IUPAC5-fluoro-1-[(3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
SMILESC[C@@]1(F)OC(n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C9H10F2N2O5/c1-9(11)5(15)4(14)7(18-9)13-2-3(10)6(16)12-8(13)17/h2,4-5,7,14-15H,1H3,(H,12,16,17)/t4-,5+,7?,9-/m1/s1
InChIKeyZCIKXSATRITCDY-GICJXCHLSA-N
MW264.18 g/mol
LogP-1.39
Rot. Bonds1

About 5-fluoro-1-[(3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione

5-fluoro-1-[(3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 46874925) has the molecular formula C9H10F2N2O5 and a molecular weight of 264.18 g/mol. Its IUPAC name is 5-fluoro-1-[(3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[(3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
PubChem CID46874925
Molecular FormulaC9H10F2N2O5
Molecular Weight264.18 g/mol
Exact Mass264.06
IUPAC Name5-fluoro-1-[(3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
SMILESC[C@@]1(F)OC(n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C9H10F2N2O5/c1-9(11)5(15)4(14)7(18-9)13-2-3(10)6(16)12-8(13)17/h2,4-5,7,14-15H,1H3,(H,12,16,17)/t4-,5+,7?,9-/m1/s1
InChIKeyZCIKXSATRITCDY-GICJXCHLSA-N
XLogP-1.39
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-1-[(3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

Thymidine
CID 5789
Uridine
CID 6029
Floxuridine
CID 5790
Idoxuridine
CID 5905
Telbivudine
CID 159269
Trifluridine
CID 6256
Doxifluridine
CID 18343
Fialuridine
CID 50313
3'-Fluorothymidine
CID 33039
5-Fluorouridine
CID 9427
1-(2-Deoxypentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one
CID 1134
5-Methyluridine
CID 445408

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[(3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione (CID 46874925) is 5-fluoro-1-[(3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[(3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[(3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione is C[C@@]1(F)OC(n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.
What is the InChIKey of 5-fluoro-1-[(3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is ZCIKXSATRITCDY-GICJXCHLSA-N. The full InChI is InChI=1S/C9H10F2N2O5/c1-9(11)5(15)4(14)7(18-9)13-2-3(10)6(16)12-8(13)17/h2,4-5,7,14-15H,1H3,(H,12,16,17)/t4-,5+,7?,9-/m1/s1.
What are the key properties of 5-fluoro-1-[(3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione?
5-fluoro-1-[(3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 264.18 g/mol, XLogP of -1.39, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 46874925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).