5-[(2S,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione

C10H13FN2O4 — CID 58288011

IUPAC5-[(2S,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione
SMILESCC[C@H]1O[C@@H](c2c[nH]c(=O)[nH]c2=O)[C@@H](F)C1O
InChIInChI=1S/C10H13FN2O4/c1-2-5-7(14)6(11)8(17-5)4-3-12-10(16)13-9(4)15/h3,5-8,14H,2H2,1H3,(H2,12,13,15,16)/t5-,6+,7?,8+/m1/s1
InChIKeyYEDFEXHNFZZIJF-CLTDUVIFSA-N
MW244.22 g/mol
LogP-0.39
Rot. Bonds2

About 5-[(2S,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione

5-[(2S,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 58288011) has the molecular formula C10H13FN2O4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 5-[(2S,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2S,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID58288011
Molecular FormulaC10H13FN2O4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name5-[(2S,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione
SMILESCC[C@H]1O[C@@H](c2c[nH]c(=O)[nH]c2=O)[C@@H](F)C1O
InChIInChI=1S/C10H13FN2O4/c1-2-5-7(14)6(11)8(17-5)4-3-12-10(16)13-9(4)15/h3,5-8,14H,2H2,1H3,(H2,12,13,15,16)/t5-,6+,7?,8+/m1/s1
InChIKeyYEDFEXHNFZZIJF-CLTDUVIFSA-N
XLogP-0.39
TPSA95.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2S,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione (CID 58288011) is 5-[(2S,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2S,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2S,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione is CC[C@H]1O[C@@H](c2c[nH]c(=O)[nH]c2=O)[C@@H](F)C1O.
What is the InChIKey of 5-[(2S,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is YEDFEXHNFZZIJF-CLTDUVIFSA-N. The full InChI is InChI=1S/C10H13FN2O4/c1-2-5-7(14)6(11)8(17-5)4-3-12-10(16)13-9(4)15/h3,5-8,14H,2H2,1H3,(H2,12,13,15,16)/t5-,6+,7?,8+/m1/s1.
What are the key properties of 5-[(2S,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione?
5-[(2S,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 244.22 g/mol, XLogP of -0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 58288011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).