5-fluoro-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione

C8H11FN2O5 — CID 69343988

IUPAC5-fluoro-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione
SMILESCC(O)C(O)(O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O5/c1-4(12)8(15,16)3-11-2-5(9)6(13)10-7(11)14/h2,4,12,15-16H,3H2,1H3,(H,10,13,14)
InChIKeyFKADGVMWECRUQM-UHFFFAOYSA-N
MW234.18 g/mol
LogP-2.26
Rot. Bonds3

About 5-fluoro-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione

5-fluoro-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione (PubChem CID 69343988) has the molecular formula C8H11FN2O5 and a molecular weight of 234.18 g/mol. Its IUPAC name is 5-fluoro-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione
PubChem CID69343988
Molecular FormulaC8H11FN2O5
Molecular Weight234.18 g/mol
Exact Mass234.07
IUPAC Name5-fluoro-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione
SMILESCC(O)C(O)(O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O5/c1-4(12)8(15,16)3-11-2-5(9)6(13)10-7(11)14/h2,4,12,15-16H,3H2,1H3,(H,10,13,14)
InChIKeyFKADGVMWECRUQM-UHFFFAOYSA-N
XLogP-2.26
TPSA115.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 5-2.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione (CID 69343988) is 5-fluoro-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione is CC(O)C(O)(O)Cn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione?
The InChIKey is FKADGVMWECRUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O5/c1-4(12)8(15,16)3-11-2-5(9)6(13)10-7(11)14/h2,4,12,15-16H,3H2,1H3,(H,10,13,14).
What are the key properties of 5-fluoro-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione?
5-fluoro-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione has a molecular weight of 234.18 g/mol, XLogP of -2.26, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione is sourced from PubChem (CID 69343988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).