6-ethoxypyrimidine-4-carbaldehyde

C7H8N2O2 — CID 83872553

IUPAC6-ethoxypyrimidine-4-carbaldehyde
SMILESCCOc1cc(C=O)ncn1
InChIInChI=1S/C7H8N2O2/c1-2-11-7-3-6(4-10)8-5-9-7/h3-5H,2H2,1H3
InChIKeyJXLCBDSSTOZHKZ-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.69
Rot. Bonds3

About 6-ethoxypyrimidine-4-carbaldehyde

6-ethoxypyrimidine-4-carbaldehyde (PubChem CID 83872553) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 6-ethoxypyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-ethoxypyrimidine-4-carbaldehyde
PubChem CID83872553
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name6-ethoxypyrimidine-4-carbaldehyde
SMILESCCOc1cc(C=O)ncn1
InChIInChI=1S/C7H8N2O2/c1-2-11-7-3-6(4-10)8-5-9-7/h3-5H,2H2,1H3
InChIKeyJXLCBDSSTOZHKZ-UHFFFAOYSA-N
XLogP0.69
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.69
H-Bond Donors ≤ 50
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 6-ethoxypyrimidine-4-carbaldehyde?
The IUPAC name of 6-ethoxypyrimidine-4-carbaldehyde (CID 83872553) is 6-ethoxypyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-ethoxypyrimidine-4-carbaldehyde?
The canonical SMILES for 6-ethoxypyrimidine-4-carbaldehyde is CCOc1cc(C=O)ncn1.
What is the InChIKey of 6-ethoxypyrimidine-4-carbaldehyde?
The InChIKey is JXLCBDSSTOZHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-2-11-7-3-6(4-10)8-5-9-7/h3-5H,2H2,1H3.
What are the key properties of 6-ethoxypyrimidine-4-carbaldehyde?
6-ethoxypyrimidine-4-carbaldehyde has a molecular weight of 152.15 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxypyrimidine-4-carbaldehyde is sourced from PubChem (CID 83872553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).