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

C10H13FN2O6 — CID 175200033

IUPAC5-fluoro-1H-pyrimidine-2,4-dione;hexanedioic acid
SMILESO=C(O)CCCCC(=O)O.O=c1[nH]cc(F)c(=O)[nH]1
InChIInChI=1S/C6H10O4.C4H3FN2O2/c7-5(8)3-1-2-4-6(9)10;5-2-1-6-4(9)7-3(2)8/h1-4H2,(H,7,8)(H,9,10);1H,(H2,6,7,8,9)
InChIKeyTUQFYLVNJFBEJZ-UHFFFAOYSA-N
MW276.22 g/mol
LogP-0.08
Rot. Bonds5

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

5-fluoro-1H-pyrimidine-2,4-dione;hexanedioic acid (PubChem CID 175200033) has the molecular formula C10H13FN2O6 and a molecular weight of 276.22 g/mol. Its IUPAC name is 5-fluoro-1H-pyrimidine-2,4-dione;hexanedioic acid.

Molecular Properties

Compound Name5-fluoro-1H-pyrimidine-2,4-dione;hexanedioic acid
PubChem CID175200033
Molecular FormulaC10H13FN2O6
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name5-fluoro-1H-pyrimidine-2,4-dione;hexanedioic acid
SMILESO=C(O)CCCCC(=O)O.O=c1[nH]cc(F)c(=O)[nH]1
InChIInChI=1S/C6H10O4.C4H3FN2O2/c7-5(8)3-1-2-4-6(9)10;5-2-1-6-4(9)7-3(2)8/h1-4H2,(H,7,8)(H,9,10);1H,(H2,6,7,8,9)
InChIKeyTUQFYLVNJFBEJZ-UHFFFAOYSA-N
XLogP-0.08
TPSA140.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
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 5-fluoro-1H-pyrimidine-2,4-dione;hexanedioic acid?
The IUPAC name of 5-fluoro-1H-pyrimidine-2,4-dione;hexanedioic acid (CID 175200033) is 5-fluoro-1H-pyrimidine-2,4-dione;hexanedioic acid.
What is the SMILES notation for 5-fluoro-1H-pyrimidine-2,4-dione;hexanedioic acid?
The canonical SMILES for 5-fluoro-1H-pyrimidine-2,4-dione;hexanedioic acid is O=C(O)CCCCC(=O)O.O=c1[nH]cc(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-1H-pyrimidine-2,4-dione;hexanedioic acid?
The InChIKey is TUQFYLVNJFBEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.C4H3FN2O2/c7-5(8)3-1-2-4-6(9)10;5-2-1-6-4(9)7-3(2)8/h1-4H2,(H,7,8)(H,9,10);1H,(H2,6,7,8,9).
What are the key properties of 5-fluoro-1H-pyrimidine-2,4-dione;hexanedioic acid?
5-fluoro-1H-pyrimidine-2,4-dione;hexanedioic acid has a molecular weight of 276.22 g/mol, XLogP of -0.08, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-pyrimidine-2,4-dione;hexanedioic acid is sourced from PubChem (CID 175200033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).