5-fluoro-1H-pyrimidine-2,4-dione;tetradecanoic acid

C18H31FN2O4 — CID 70145826

IUPAC5-fluoro-1H-pyrimidine-2,4-dione;tetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O.O=c1[nH]cc(F)c(=O)[nH]1
InChIInChI=1S/C14H28O2.C4H3FN2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;5-2-1-6-4(9)7-3(2)8/h2-13H2,1H3,(H,15,16);1H,(H2,6,7,8,9)
InChIKeyWDQCVSKYDPYZKV-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.97
Rot. Bonds12

About 5-fluoro-1H-pyrimidine-2,4-dione;tetradecanoic acid

5-fluoro-1H-pyrimidine-2,4-dione;tetradecanoic acid (PubChem CID 70145826) has the molecular formula C18H31FN2O4 and a molecular weight of 358.45 g/mol. Its IUPAC name is 5-fluoro-1H-pyrimidine-2,4-dione;tetradecanoic acid.

Molecular Properties

Compound Name5-fluoro-1H-pyrimidine-2,4-dione;tetradecanoic acid
PubChem CID70145826
Molecular FormulaC18H31FN2O4
Molecular Weight358.45 g/mol
Exact Mass358.23
IUPAC Name5-fluoro-1H-pyrimidine-2,4-dione;tetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O.O=c1[nH]cc(F)c(=O)[nH]1
InChIInChI=1S/C14H28O2.C4H3FN2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;5-2-1-6-4(9)7-3(2)8/h2-13H2,1H3,(H,15,16);1H,(H2,6,7,8,9)
InChIKeyWDQCVSKYDPYZKV-UHFFFAOYSA-N
XLogP3.97
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 5-fluoro-1H-pyrimidine-2,4-dione;tetradecanoic acid?
The IUPAC name of 5-fluoro-1H-pyrimidine-2,4-dione;tetradecanoic acid (CID 70145826) is 5-fluoro-1H-pyrimidine-2,4-dione;tetradecanoic acid.
What is the SMILES notation for 5-fluoro-1H-pyrimidine-2,4-dione;tetradecanoic acid?
The canonical SMILES for 5-fluoro-1H-pyrimidine-2,4-dione;tetradecanoic acid is CCCCCCCCCCCCCC(=O)O.O=c1[nH]cc(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-1H-pyrimidine-2,4-dione;tetradecanoic acid?
The InChIKey is WDQCVSKYDPYZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.C4H3FN2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;5-2-1-6-4(9)7-3(2)8/h2-13H2,1H3,(H,15,16);1H,(H2,6,7,8,9).
What are the key properties of 5-fluoro-1H-pyrimidine-2,4-dione;tetradecanoic acid?
5-fluoro-1H-pyrimidine-2,4-dione;tetradecanoic acid has a molecular weight of 358.45 g/mol, XLogP of 3.97, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-pyrimidine-2,4-dione;tetradecanoic acid is sourced from PubChem (CID 70145826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).