1-(2-ethoxyethyl)-5-(3-fluorophenyl)-6-hydroxypyrimidine-2,4-dione

C14H15FN2O4 — CID 115945645

IUPAC1-(2-ethoxyethyl)-5-(3-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCCOCCn1c(O)c(-c2cccc(F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C14H15FN2O4/c1-2-21-7-6-17-13(19)11(12(18)16-14(17)20)9-4-3-5-10(15)8-9/h3-5,8,19H,2,6-7H2,1H3,(H,16,18,20)
InChIKeyGIJKQZTXPQOIKB-UHFFFAOYSA-N
MW294.28 g/mol
LogP1.08
Rot. Bonds5

About 1-(2-ethoxyethyl)-5-(3-fluorophenyl)-6-hydroxypyrimidine-2,4-dione

1-(2-ethoxyethyl)-5-(3-fluorophenyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 115945645) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-5-(3-fluorophenyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-5-(3-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID115945645
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name1-(2-ethoxyethyl)-5-(3-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCCOCCn1c(O)c(-c2cccc(F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C14H15FN2O4/c1-2-21-7-6-17-13(19)11(12(18)16-14(17)20)9-4-3-5-10(15)8-9/h3-5,8,19H,2,6-7H2,1H3,(H,16,18,20)
InChIKeyGIJKQZTXPQOIKB-UHFFFAOYSA-N
XLogP1.08
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-ethoxyethyl)-5-(3-fluorophenyl)-6-hydroxypyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-5-(3-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(2-ethoxyethyl)-5-(3-fluorophenyl)-6-hydroxypyrimidine-2,4-dione (CID 115945645) is 1-(2-ethoxyethyl)-5-(3-fluorophenyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-ethoxyethyl)-5-(3-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(2-ethoxyethyl)-5-(3-fluorophenyl)-6-hydroxypyrimidine-2,4-dione is CCOCCn1c(O)c(-c2cccc(F)c2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-ethoxyethyl)-5-(3-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is GIJKQZTXPQOIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c1-2-21-7-6-17-13(19)11(12(18)16-14(17)20)9-4-3-5-10(15)8-9/h3-5,8,19H,2,6-7H2,1H3,(H,16,18,20).
What are the key properties of 1-(2-ethoxyethyl)-5-(3-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
1-(2-ethoxyethyl)-5-(3-fluorophenyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 294.28 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-5-(3-fluorophenyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 115945645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).