2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl formate

C7H8N2O4 — CID 174353556

IUPAC2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl formate
SMILESO=COCCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c10-4-13-2-1-5-3-8-7(12)9-6(5)11/h3-4H,1-2H2,(H2,8,9,11,12)
InChIKeyVSTUKCAGKUDUNG-UHFFFAOYSA-N
MW184.15 g/mol
LogP-1.22
Rot. Bonds4

About 2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl formate

2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl formate (PubChem CID 174353556) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl formate.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl formate
PubChem CID174353556
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl formate
SMILESO=COCCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c10-4-13-2-1-5-3-8-7(12)9-6(5)11/h3-4H,1-2H2,(H2,8,9,11,12)
InChIKeyVSTUKCAGKUDUNG-UHFFFAOYSA-N
XLogP-1.22
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl formate?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl formate (CID 174353556) is 2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl formate.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl formate?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl formate is O=COCCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl formate?
The InChIKey is VSTUKCAGKUDUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c10-4-13-2-1-5-3-8-7(12)9-6(5)11/h3-4H,1-2H2,(H2,8,9,11,12).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl formate?
2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl formate has a molecular weight of 184.15 g/mol, XLogP of -1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl formate is sourced from PubChem (CID 174353556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).