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

C9H12N2O3 — CID 142698800

IUPAC5-ethyl-2,6-dimethoxypyrimidine-4-carbaldehyde
SMILESCCc1c(C=O)nc(OC)nc1OC
InChIInChI=1S/C9H12N2O3/c1-4-6-7(5-12)10-9(14-3)11-8(6)13-2/h5H,4H2,1-3H3
InChIKeyLAMYWIBNBVRPHP-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.87
Rot. Bonds4

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

5-ethyl-2,6-dimethoxypyrimidine-4-carbaldehyde (PubChem CID 142698800) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-ethyl-2,6-dimethoxypyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-2,6-dimethoxypyrimidine-4-carbaldehyde
PubChem CID142698800
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name5-ethyl-2,6-dimethoxypyrimidine-4-carbaldehyde
SMILESCCc1c(C=O)nc(OC)nc1OC
InChIInChI=1S/C9H12N2O3/c1-4-6-7(5-12)10-9(14-3)11-8(6)13-2/h5H,4H2,1-3H3
InChIKeyLAMYWIBNBVRPHP-UHFFFAOYSA-N
XLogP0.87
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,6-dimethoxypyrimidine-4-carbaldehyde?
The IUPAC name of 5-ethyl-2,6-dimethoxypyrimidine-4-carbaldehyde (CID 142698800) is 5-ethyl-2,6-dimethoxypyrimidine-4-carbaldehyde.
What is the SMILES notation for 5-ethyl-2,6-dimethoxypyrimidine-4-carbaldehyde?
The canonical SMILES for 5-ethyl-2,6-dimethoxypyrimidine-4-carbaldehyde is CCc1c(C=O)nc(OC)nc1OC.
What is the InChIKey of 5-ethyl-2,6-dimethoxypyrimidine-4-carbaldehyde?
The InChIKey is LAMYWIBNBVRPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-4-6-7(5-12)10-9(14-3)11-8(6)13-2/h5H,4H2,1-3H3.
What are the key properties of 5-ethyl-2,6-dimethoxypyrimidine-4-carbaldehyde?
5-ethyl-2,6-dimethoxypyrimidine-4-carbaldehyde has a molecular weight of 196.21 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,6-dimethoxypyrimidine-4-carbaldehyde is sourced from PubChem (CID 142698800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).