6-(2,4-dioxopyrimidin-1-yl)hexanoic acid

C10H14N2O4 — CID 54359205

IUPAC6-(2,4-dioxopyrimidin-1-yl)hexanoic acid
SMILESO=C(O)CCCCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c13-8-5-7-12(10(16)11-8)6-3-1-2-4-9(14)15/h5,7H,1-4,6H2,(H,14,15)(H,11,13,16)
InChIKeyULHBUDCBRIQBJB-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.18
Rot. Bonds6

About 6-(2,4-dioxopyrimidin-1-yl)hexanoic acid

6-(2,4-dioxopyrimidin-1-yl)hexanoic acid (PubChem CID 54359205) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 6-(2,4-dioxopyrimidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name6-(2,4-dioxopyrimidin-1-yl)hexanoic acid
PubChem CID54359205
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name6-(2,4-dioxopyrimidin-1-yl)hexanoic acid
SMILESO=C(O)CCCCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c13-8-5-7-12(10(16)11-8)6-3-1-2-4-9(14)15/h5,7H,1-4,6H2,(H,14,15)(H,11,13,16)
InChIKeyULHBUDCBRIQBJB-UHFFFAOYSA-N
XLogP0.18
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.18
H-Bond Donors ≤ 52
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 6-(2,4-dioxopyrimidin-1-yl)hexanoic acid?
The IUPAC name of 6-(2,4-dioxopyrimidin-1-yl)hexanoic acid (CID 54359205) is 6-(2,4-dioxopyrimidin-1-yl)hexanoic acid.
What is the SMILES notation for 6-(2,4-dioxopyrimidin-1-yl)hexanoic acid?
The canonical SMILES for 6-(2,4-dioxopyrimidin-1-yl)hexanoic acid is O=C(O)CCCCCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 6-(2,4-dioxopyrimidin-1-yl)hexanoic acid?
The InChIKey is ULHBUDCBRIQBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c13-8-5-7-12(10(16)11-8)6-3-1-2-4-9(14)15/h5,7H,1-4,6H2,(H,14,15)(H,11,13,16).
What are the key properties of 6-(2,4-dioxopyrimidin-1-yl)hexanoic acid?
6-(2,4-dioxopyrimidin-1-yl)hexanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dioxopyrimidin-1-yl)hexanoic acid is sourced from PubChem (CID 54359205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).