2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl icosanoate

C28H50N2O5 — CID 15702760

IUPAC2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl icosanoate
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OCCOCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C28H50N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(31)35-22-21-34-24-30-23-25(2)27(32)29-28(30)33/h23H,3-22,24H2,1-2H3,(H,29,32,33)
InChIKeyUGDJURRTDDTVAF-UHFFFAOYSA-N
MW494.72 g/mol
LogP6.40
Rot. Bonds23

About 2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl icosanoate

2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl icosanoate (PubChem CID 15702760) has the molecular formula C28H50N2O5 and a molecular weight of 494.72 g/mol. Its IUPAC name is 2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl icosanoate.

Molecular Properties

Compound Name2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl icosanoate
PubChem CID15702760
Molecular FormulaC28H50N2O5
Molecular Weight494.72 g/mol
Exact Mass494.37
IUPAC Name2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl icosanoate
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OCCOCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C28H50N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(31)35-22-21-34-24-30-23-25(2)27(32)29-28(30)33/h23H,3-22,24H2,1-2H3,(H,29,32,33)
InChIKeyUGDJURRTDDTVAF-UHFFFAOYSA-N
XLogP6.40
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.72
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl icosanoate?
The IUPAC name of 2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl icosanoate (CID 15702760) is 2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl icosanoate.
What is the SMILES notation for 2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl icosanoate?
The canonical SMILES for 2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl icosanoate is CCCCCCCCCCCCCCCCCCCC(=O)OCCOCn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl icosanoate?
The InChIKey is UGDJURRTDDTVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(31)35-22-21-34-24-30-23-25(2)27(32)29-28(30)33/h23H,3-22,24H2,1-2H3,(H,29,32,33).
What are the key properties of 2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl icosanoate?
2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl icosanoate has a molecular weight of 494.72 g/mol, XLogP of 6.40, 23 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl icosanoate is sourced from PubChem (CID 15702760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).