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

C9H12N2O4 — CID 45094268

IUPAC2-ethoxy-4,6-dimethoxypyrimidine-5-carbaldehyde
SMILESCCOc1nc(OC)c(C=O)c(OC)n1
InChIInChI=1S/C9H12N2O4/c1-4-15-9-10-7(13-2)6(5-12)8(11-9)14-3/h5H,4H2,1-3H3
InChIKeyQIZSHGDPFHFLFF-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.70
Rot. Bonds5

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

2-ethoxy-4,6-dimethoxypyrimidine-5-carbaldehyde (PubChem CID 45094268) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-ethoxy-4,6-dimethoxypyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-ethoxy-4,6-dimethoxypyrimidine-5-carbaldehyde
PubChem CID45094268
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-ethoxy-4,6-dimethoxypyrimidine-5-carbaldehyde
SMILESCCOc1nc(OC)c(C=O)c(OC)n1
InChIInChI=1S/C9H12N2O4/c1-4-15-9-10-7(13-2)6(5-12)8(11-9)14-3/h5H,4H2,1-3H3
InChIKeyQIZSHGDPFHFLFF-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 2-ethoxy-4,6-dimethoxypyrimidine-5-carbaldehyde?
The IUPAC name of 2-ethoxy-4,6-dimethoxypyrimidine-5-carbaldehyde (CID 45094268) is 2-ethoxy-4,6-dimethoxypyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-ethoxy-4,6-dimethoxypyrimidine-5-carbaldehyde?
The canonical SMILES for 2-ethoxy-4,6-dimethoxypyrimidine-5-carbaldehyde is CCOc1nc(OC)c(C=O)c(OC)n1.
What is the InChIKey of 2-ethoxy-4,6-dimethoxypyrimidine-5-carbaldehyde?
The InChIKey is QIZSHGDPFHFLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-4-15-9-10-7(13-2)6(5-12)8(11-9)14-3/h5H,4H2,1-3H3.
What are the key properties of 2-ethoxy-4,6-dimethoxypyrimidine-5-carbaldehyde?
2-ethoxy-4,6-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 2-ethoxy-4,6-dimethoxypyrimidine-5-carbaldehyde is sourced from PubChem (CID 45094268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).