4-ethoxy-2,6-dimethoxypyrimidine-5-carbaldehyde

C9H12N2O4 — CID 45094269

IUPAC4-ethoxy-2,6-dimethoxypyrimidine-5-carbaldehyde
SMILESCCOc1nc(OC)nc(OC)c1C=O
InChIInChI=1S/C9H12N2O4/c1-4-15-8-6(5-12)7(13-2)10-9(11-8)14-3/h5H,4H2,1-3H3
InChIKeyMAGOJILRWPRBCB-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.70
Rot. Bonds5

About 4-ethoxy-2,6-dimethoxypyrimidine-5-carbaldehyde

4-ethoxy-2,6-dimethoxypyrimidine-5-carbaldehyde (PubChem CID 45094269) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 4-ethoxy-2,6-dimethoxypyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-ethoxy-2,6-dimethoxypyrimidine-5-carbaldehyde
PubChem CID45094269
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name4-ethoxy-2,6-dimethoxypyrimidine-5-carbaldehyde
SMILESCCOc1nc(OC)nc(OC)c1C=O
InChIInChI=1S/C9H12N2O4/c1-4-15-8-6(5-12)7(13-2)10-9(11-8)14-3/h5H,4H2,1-3H3
InChIKeyMAGOJILRWPRBCB-UHFFFAOYSA-N
XLogP0.70
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,6-dimethoxypyrimidine-5-carbaldehyde?
The IUPAC name of 4-ethoxy-2,6-dimethoxypyrimidine-5-carbaldehyde (CID 45094269) is 4-ethoxy-2,6-dimethoxypyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-ethoxy-2,6-dimethoxypyrimidine-5-carbaldehyde?
The canonical SMILES for 4-ethoxy-2,6-dimethoxypyrimidine-5-carbaldehyde is CCOc1nc(OC)nc(OC)c1C=O.
What is the InChIKey of 4-ethoxy-2,6-dimethoxypyrimidine-5-carbaldehyde?
The InChIKey is MAGOJILRWPRBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-4-15-8-6(5-12)7(13-2)10-9(11-8)14-3/h5H,4H2,1-3H3.
What are the key properties of 4-ethoxy-2,6-dimethoxypyrimidine-5-carbaldehyde?
4-ethoxy-2,6-dimethoxypyrimidine-5-carbaldehyde has a molecular weight of 212.20 g/mol, XLogP of 0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,6-dimethoxypyrimidine-5-carbaldehyde is sourced from PubChem (CID 45094269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).