5-fluoro-1-(2-hydroxyethyl)pyrimidine-2,4-dione

C6H7FN2O3 — CID 5242907

IUPAC5-fluoro-1-(2-hydroxyethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCO)cc1F
InChIInChI=1S/C6H7FN2O3/c7-4-3-9(1-2-10)6(12)8-5(4)11/h3,10H,1-2H2,(H,8,11,12)
InChIKeyMROAJUVLPAOAPT-UHFFFAOYSA-N
MW174.13 g/mol
LogP-1.33
Rot. Bonds2

About 5-fluoro-1-(2-hydroxyethyl)pyrimidine-2,4-dione

5-fluoro-1-(2-hydroxyethyl)pyrimidine-2,4-dione (PubChem CID 5242907) has the molecular formula C6H7FN2O3 and a molecular weight of 174.13 g/mol. Its IUPAC name is 5-fluoro-1-(2-hydroxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(2-hydroxyethyl)pyrimidine-2,4-dione
PubChem CID5242907
Molecular FormulaC6H7FN2O3
Molecular Weight174.13 g/mol
Exact Mass174.04
IUPAC Name5-fluoro-1-(2-hydroxyethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCO)cc1F
InChIInChI=1S/C6H7FN2O3/c7-4-3-9(1-2-10)6(12)8-5(4)11/h3,10H,1-2H2,(H,8,11,12)
InChIKeyMROAJUVLPAOAPT-UHFFFAOYSA-N
XLogP-1.33
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.13
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-hydroxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(2-hydroxyethyl)pyrimidine-2,4-dione (CID 5242907) is 5-fluoro-1-(2-hydroxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(2-hydroxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(2-hydroxyethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CCO)cc1F.
What is the InChIKey of 5-fluoro-1-(2-hydroxyethyl)pyrimidine-2,4-dione?
The InChIKey is MROAJUVLPAOAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O3/c7-4-3-9(1-2-10)6(12)8-5(4)11/h3,10H,1-2H2,(H,8,11,12).
What are the key properties of 5-fluoro-1-(2-hydroxyethyl)pyrimidine-2,4-dione?
5-fluoro-1-(2-hydroxyethyl)pyrimidine-2,4-dione has a molecular weight of 174.13 g/mol, XLogP of -1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-hydroxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 5242907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).