4-ethoxy-2-ethylpyrimidine-5-carbaldehyde

C9H12N2O2 — CID 83875387

IUPAC4-ethoxy-2-ethylpyrimidine-5-carbaldehyde
SMILESCCOc1nc(CC)ncc1C=O
InChIInChI=1S/C9H12N2O2/c1-3-8-10-5-7(6-12)9(11-8)13-4-2/h5-6H,3-4H2,1-2H3
InChIKeyIJVXJNSPZHUCHX-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.25
Rot. Bonds4

About 4-ethoxy-2-ethylpyrimidine-5-carbaldehyde

4-ethoxy-2-ethylpyrimidine-5-carbaldehyde (PubChem CID 83875387) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-ethoxy-2-ethylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-ethoxy-2-ethylpyrimidine-5-carbaldehyde
PubChem CID83875387
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4-ethoxy-2-ethylpyrimidine-5-carbaldehyde
SMILESCCOc1nc(CC)ncc1C=O
InChIInChI=1S/C9H12N2O2/c1-3-8-10-5-7(6-12)9(11-8)13-4-2/h5-6H,3-4H2,1-2H3
InChIKeyIJVXJNSPZHUCHX-UHFFFAOYSA-N
XLogP1.25
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-2-propan-2-ylpyrimidine-5-carbaldehyde
CID 83878862
2-(4-ethoxy-2-ethylpyrimidin-5-yl)propan-1-amine
CID 83884599
2-ethylpyrimidine-5-carbaldehyde
CID 3160971
5-chloro-2-ethoxypyridine-3-carbaldehyde
CID 86084027
4-amino-2-(methoxymethyl)pyrimidine-5-carbaldehyde
CID 91618563
ethyl (E)-3-[4-(2-aminoethyl)-2-ethylpyrimidin-5-yl]prop-2-enoate
CID 139618465
4-amino-2-prop-2-enylpyrimidine-5-carbaldehyde
CID 88651356
4-ethoxy-5-ethyl-2-hydroxybenzaldehyde
CID 22039501
4,5-diethoxy-2-hydroxybenzaldehyde
CID 22039093
2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941
2-(3-ethoxybenzo[f]indazol-1-yl)benzaldehyde
CID 132539692
2-ethoxy-1,3-thiazole-4-carbaldehyde
CID 83872893

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-ethylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-ethoxy-2-ethylpyrimidine-5-carbaldehyde (CID 83875387) is 4-ethoxy-2-ethylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-ethoxy-2-ethylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-ethoxy-2-ethylpyrimidine-5-carbaldehyde is CCOc1nc(CC)ncc1C=O.
What is the InChIKey of 4-ethoxy-2-ethylpyrimidine-5-carbaldehyde?
The InChIKey is IJVXJNSPZHUCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-3-8-10-5-7(6-12)9(11-8)13-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-ethoxy-2-ethylpyrimidine-5-carbaldehyde?
4-ethoxy-2-ethylpyrimidine-5-carbaldehyde has a molecular weight of 180.21 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-ethylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 83875387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).