6-(2,4-dioxopyrimidin-1-yl)hexyl propanoate

C13H20N2O4 — CID 169034545

IUPAC6-(2,4-dioxopyrimidin-1-yl)hexyl propanoate
SMILESCCC(=O)OCCCCCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C13H20N2O4/c1-2-12(17)19-10-6-4-3-5-8-15-9-7-11(16)14-13(15)18/h7,9H,2-6,8,10H2,1H3,(H,14,16,18)
InChIKeyZTZBKVXSQANBCY-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.05
Rot. Bonds8

About 6-(2,4-dioxopyrimidin-1-yl)hexyl propanoate

6-(2,4-dioxopyrimidin-1-yl)hexyl propanoate (PubChem CID 169034545) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 6-(2,4-dioxopyrimidin-1-yl)hexyl propanoate.

Molecular Properties

Compound Name6-(2,4-dioxopyrimidin-1-yl)hexyl propanoate
PubChem CID169034545
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name6-(2,4-dioxopyrimidin-1-yl)hexyl propanoate
SMILESCCC(=O)OCCCCCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C13H20N2O4/c1-2-12(17)19-10-6-4-3-5-8-15-9-7-11(16)14-13(15)18/h7,9H,2-6,8,10H2,1H3,(H,14,16,18)
InChIKeyZTZBKVXSQANBCY-UHFFFAOYSA-N
XLogP1.05
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(2,4-dioxopyrimidin-1-yl)hexyl propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dioxopyrimidin-1-yl)hexyl propanoate?
The IUPAC name of 6-(2,4-dioxopyrimidin-1-yl)hexyl propanoate (CID 169034545) is 6-(2,4-dioxopyrimidin-1-yl)hexyl propanoate.
What is the SMILES notation for 6-(2,4-dioxopyrimidin-1-yl)hexyl propanoate?
The canonical SMILES for 6-(2,4-dioxopyrimidin-1-yl)hexyl propanoate is CCC(=O)OCCCCCCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 6-(2,4-dioxopyrimidin-1-yl)hexyl propanoate?
The InChIKey is ZTZBKVXSQANBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-2-12(17)19-10-6-4-3-5-8-15-9-7-11(16)14-13(15)18/h7,9H,2-6,8,10H2,1H3,(H,14,16,18).
What are the key properties of 6-(2,4-dioxopyrimidin-1-yl)hexyl propanoate?
6-(2,4-dioxopyrimidin-1-yl)hexyl propanoate has a molecular weight of 268.31 g/mol, XLogP of 1.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dioxopyrimidin-1-yl)hexyl propanoate is sourced from PubChem (CID 169034545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).