1-(2-ethoxyethoxymethyl)-5-fluoropyrimidine-2,4-dione

C9H13FN2O4 — CID 4015330

IUPAC1-(2-ethoxyethoxymethyl)-5-fluoropyrimidine-2,4-dione
SMILESCCOCCOCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H13FN2O4/c1-2-15-3-4-16-6-12-5-7(10)8(13)11-9(12)14/h5H,2-4,6H2,1H3,(H,11,13,14)
InChIKeyXFIOOPVYLWTGIL-UHFFFAOYSA-N
MW232.21 g/mol
LogP-0.31
Rot. Bonds6

About 1-(2-ethoxyethoxymethyl)-5-fluoropyrimidine-2,4-dione

1-(2-ethoxyethoxymethyl)-5-fluoropyrimidine-2,4-dione (PubChem CID 4015330) has the molecular formula C9H13FN2O4 and a molecular weight of 232.21 g/mol. Its IUPAC name is 1-(2-ethoxyethoxymethyl)-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-ethoxyethoxymethyl)-5-fluoropyrimidine-2,4-dione
PubChem CID4015330
Molecular FormulaC9H13FN2O4
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC Name1-(2-ethoxyethoxymethyl)-5-fluoropyrimidine-2,4-dione
SMILESCCOCCOCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H13FN2O4/c1-2-15-3-4-16-6-12-5-7(10)8(13)11-9(12)14/h5H,2-4,6H2,1H3,(H,11,13,14)
InChIKeyXFIOOPVYLWTGIL-UHFFFAOYSA-N
XLogP-0.31
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxymethyl)-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-(2-ethoxyethoxymethyl)-5-fluoropyrimidine-2,4-dione (CID 4015330) is 1-(2-ethoxyethoxymethyl)-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-ethoxyethoxymethyl)-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-(2-ethoxyethoxymethyl)-5-fluoropyrimidine-2,4-dione is CCOCCOCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-ethoxyethoxymethyl)-5-fluoropyrimidine-2,4-dione?
The InChIKey is XFIOOPVYLWTGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O4/c1-2-15-3-4-16-6-12-5-7(10)8(13)11-9(12)14/h5H,2-4,6H2,1H3,(H,11,13,14).
What are the key properties of 1-(2-ethoxyethoxymethyl)-5-fluoropyrimidine-2,4-dione?
1-(2-ethoxyethoxymethyl)-5-fluoropyrimidine-2,4-dione has a molecular weight of 232.21 g/mol, XLogP of -0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxymethyl)-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 4015330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).