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

C10H15FN2O3 — CID 2883397

IUPAC1-(1-butoxyethyl)-5-fluoropyrimidine-2,4-dione
SMILESCCCCOC(C)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H15FN2O3/c1-3-4-5-16-7(2)13-6-8(11)9(14)12-10(13)15/h6-7H,3-5H2,1-2H3,(H,12,14,15)
InChIKeyZVCTZRNYMFGWGV-UHFFFAOYSA-N
MW230.24 g/mol
LogP1.01
Rot. Bonds5

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

1-(1-butoxyethyl)-5-fluoropyrimidine-2,4-dione (PubChem CID 2883397) has the molecular formula C10H15FN2O3 and a molecular weight of 230.24 g/mol. Its IUPAC name is 1-(1-butoxyethyl)-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1-butoxyethyl)-5-fluoropyrimidine-2,4-dione
PubChem CID2883397
Molecular FormulaC10H15FN2O3
Molecular Weight230.24 g/mol
Exact Mass230.11
IUPAC Name1-(1-butoxyethyl)-5-fluoropyrimidine-2,4-dione
SMILESCCCCOC(C)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H15FN2O3/c1-3-4-5-16-7(2)13-6-8(11)9(14)12-10(13)15/h6-7H,3-5H2,1-2H3,(H,12,14,15)
InChIKeyZVCTZRNYMFGWGV-UHFFFAOYSA-N
XLogP1.01
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1-butoxyethyl)-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-(1-butoxyethyl)-5-fluoropyrimidine-2,4-dione (CID 2883397) is 1-(1-butoxyethyl)-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-(1-butoxyethyl)-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-(1-butoxyethyl)-5-fluoropyrimidine-2,4-dione is CCCCOC(C)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-(1-butoxyethyl)-5-fluoropyrimidine-2,4-dione?
The InChIKey is ZVCTZRNYMFGWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3/c1-3-4-5-16-7(2)13-6-8(11)9(14)12-10(13)15/h6-7H,3-5H2,1-2H3,(H,12,14,15).
What are the key properties of 1-(1-butoxyethyl)-5-fluoropyrimidine-2,4-dione?
1-(1-butoxyethyl)-5-fluoropyrimidine-2,4-dione has a molecular weight of 230.24 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butoxyethyl)-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 2883397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).