2-[(6-oxo-1H-pyrimidin-4-yl)oxy]acetaldehyde

C6H6N2O3 — CID 167220155

IUPAC2-[(6-oxo-1H-pyrimidin-4-yl)oxy]acetaldehyde
SMILESO=CCOc1cc(=O)[nH]cn1
InChIInChI=1S/C6H6N2O3/c9-1-2-11-6-3-5(10)7-4-8-6/h1,3-4H,2H2,(H,7,8,10)
InChIKeyJCPHLYKBQGGHIG-UHFFFAOYSA-N
MW154.12 g/mol
LogP-0.65
Rot. Bonds3

About 2-[(6-oxo-1H-pyrimidin-4-yl)oxy]acetaldehyde

2-[(6-oxo-1H-pyrimidin-4-yl)oxy]acetaldehyde (PubChem CID 167220155) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyrimidin-4-yl)oxy]acetaldehyde.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyrimidin-4-yl)oxy]acetaldehyde
PubChem CID167220155
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name2-[(6-oxo-1H-pyrimidin-4-yl)oxy]acetaldehyde
SMILESO=CCOc1cc(=O)[nH]cn1
InChIInChI=1S/C6H6N2O3/c9-1-2-11-6-3-5(10)7-4-8-6/h1,3-4H,2H2,(H,7,8,10)
InChIKeyJCPHLYKBQGGHIG-UHFFFAOYSA-N
XLogP-0.65
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyrimidin-4-yl)oxy]acetaldehyde?
The IUPAC name of 2-[(6-oxo-1H-pyrimidin-4-yl)oxy]acetaldehyde (CID 167220155) is 2-[(6-oxo-1H-pyrimidin-4-yl)oxy]acetaldehyde.
What is the SMILES notation for 2-[(6-oxo-1H-pyrimidin-4-yl)oxy]acetaldehyde?
The canonical SMILES for 2-[(6-oxo-1H-pyrimidin-4-yl)oxy]acetaldehyde is O=CCOc1cc(=O)[nH]cn1.
What is the InChIKey of 2-[(6-oxo-1H-pyrimidin-4-yl)oxy]acetaldehyde?
The InChIKey is JCPHLYKBQGGHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c9-1-2-11-6-3-5(10)7-4-8-6/h1,3-4H,2H2,(H,7,8,10).
What are the key properties of 2-[(6-oxo-1H-pyrimidin-4-yl)oxy]acetaldehyde?
2-[(6-oxo-1H-pyrimidin-4-yl)oxy]acetaldehyde has a molecular weight of 154.12 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyrimidin-4-yl)oxy]acetaldehyde is sourced from PubChem (CID 167220155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).