6-oxo-1H-pyrimidine-5-carbaldehyde

C5H4N2O2 — CID 45080459

IUPAC6-oxo-1H-pyrimidine-5-carbaldehyde
SMILESO=Cc1cnc[nH]c1=O
InChIInChI=1S/C5H4N2O2/c8-2-4-1-6-3-7-5(4)9/h1-3H,(H,6,7,9)
InChIKeyNRFQMISRZICFNW-UHFFFAOYSA-N
MW124.10 g/mol
LogP-0.42
Rot. Bonds1

About 6-oxo-1H-pyrimidine-5-carbaldehyde

6-oxo-1H-pyrimidine-5-carbaldehyde (PubChem CID 45080459) has the molecular formula C5H4N2O2 and a molecular weight of 124.10 g/mol. Its IUPAC name is 6-oxo-1H-pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name6-oxo-1H-pyrimidine-5-carbaldehyde
PubChem CID45080459
Molecular FormulaC5H4N2O2
Molecular Weight124.10 g/mol
Exact Mass124.03
IUPAC Name6-oxo-1H-pyrimidine-5-carbaldehyde
SMILESO=Cc1cnc[nH]c1=O
InChIInChI=1S/C5H4N2O2/c8-2-4-1-6-3-7-5(4)9/h1-3H,(H,6,7,9)
InChIKeyNRFQMISRZICFNW-UHFFFAOYSA-N
XLogP-0.42
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1H-pyrimidine-5-carbaldehyde?
The IUPAC name of 6-oxo-1H-pyrimidine-5-carbaldehyde (CID 45080459) is 6-oxo-1H-pyrimidine-5-carbaldehyde.
What is the SMILES notation for 6-oxo-1H-pyrimidine-5-carbaldehyde?
The canonical SMILES for 6-oxo-1H-pyrimidine-5-carbaldehyde is O=Cc1cnc[nH]c1=O.
What is the InChIKey of 6-oxo-1H-pyrimidine-5-carbaldehyde?
The InChIKey is NRFQMISRZICFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2/c8-2-4-1-6-3-7-5(4)9/h1-3H,(H,6,7,9).
What are the key properties of 6-oxo-1H-pyrimidine-5-carbaldehyde?
6-oxo-1H-pyrimidine-5-carbaldehyde has a molecular weight of 124.10 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1H-pyrimidine-5-carbaldehyde is sourced from PubChem (CID 45080459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).