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

C10H15FN2O4 — CID 175192495

IUPAC5-fluoro-1H-pyrimidine-2,4-dione;hexanoic acid
SMILESCCCCCC(=O)O.O=c1[nH]cc(F)c(=O)[nH]1
InChIInChI=1S/C6H12O2.C4H3FN2O2/c1-2-3-4-5-6(7)8;5-2-1-6-4(9)7-3(2)8/h2-5H2,1H3,(H,7,8);1H,(H2,6,7,8,9)
InChIKeyJJGSJERGPVDPHN-UHFFFAOYSA-N
MW246.24 g/mol
LogP0.85
Rot. Bonds4

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

5-fluoro-1H-pyrimidine-2,4-dione;hexanoic acid (PubChem CID 175192495) has the molecular formula C10H15FN2O4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 5-fluoro-1H-pyrimidine-2,4-dione;hexanoic acid.

Molecular Properties

Compound Name5-fluoro-1H-pyrimidine-2,4-dione;hexanoic acid
PubChem CID175192495
Molecular FormulaC10H15FN2O4
Molecular Weight246.24 g/mol
Exact Mass246.10
IUPAC Name5-fluoro-1H-pyrimidine-2,4-dione;hexanoic acid
SMILESCCCCCC(=O)O.O=c1[nH]cc(F)c(=O)[nH]1
InChIInChI=1S/C6H12O2.C4H3FN2O2/c1-2-3-4-5-6(7)8;5-2-1-6-4(9)7-3(2)8/h2-5H2,1H3,(H,7,8);1H,(H2,6,7,8,9)
InChIKeyJJGSJERGPVDPHN-UHFFFAOYSA-N
XLogP0.85
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 50.85
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;hexanoic acid?
The IUPAC name of 5-fluoro-1H-pyrimidine-2,4-dione;hexanoic acid (CID 175192495) is 5-fluoro-1H-pyrimidine-2,4-dione;hexanoic acid.
What is the SMILES notation for 5-fluoro-1H-pyrimidine-2,4-dione;hexanoic acid?
The canonical SMILES for 5-fluoro-1H-pyrimidine-2,4-dione;hexanoic acid is CCCCCC(=O)O.O=c1[nH]cc(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-1H-pyrimidine-2,4-dione;hexanoic acid?
The InChIKey is JJGSJERGPVDPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C4H3FN2O2/c1-2-3-4-5-6(7)8;5-2-1-6-4(9)7-3(2)8/h2-5H2,1H3,(H,7,8);1H,(H2,6,7,8,9).
What are the key properties of 5-fluoro-1H-pyrimidine-2,4-dione;hexanoic acid?
5-fluoro-1H-pyrimidine-2,4-dione;hexanoic acid has a molecular weight of 246.24 g/mol, XLogP of 0.85, 4 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;hexanoic acid is sourced from PubChem (CID 175192495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).