4-ethoxy-6-propan-2-ylpyrimidine-2-carbaldehyde

C10H14N2O2 — CID 83878852

IUPAC4-ethoxy-6-propan-2-ylpyrimidine-2-carbaldehyde
SMILESCCOc1cc(C(C)C)nc(C=O)n1
InChIInChI=1S/C10H14N2O2/c1-4-14-10-5-8(7(2)3)11-9(6-13)12-10/h5-7H,4H2,1-3H3
InChIKeyWKRYZVASZAQXHS-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.81
Rot. Bonds4

About 4-ethoxy-6-propan-2-ylpyrimidine-2-carbaldehyde

4-ethoxy-6-propan-2-ylpyrimidine-2-carbaldehyde (PubChem CID 83878852) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-ethoxy-6-propan-2-ylpyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name4-ethoxy-6-propan-2-ylpyrimidine-2-carbaldehyde
PubChem CID83878852
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-ethoxy-6-propan-2-ylpyrimidine-2-carbaldehyde
SMILESCCOc1cc(C(C)C)nc(C=O)n1
InChIInChI=1S/C10H14N2O2/c1-4-14-10-5-8(7(2)3)11-9(6-13)12-10/h5-7H,4H2,1-3H3
InChIKeyWKRYZVASZAQXHS-UHFFFAOYSA-N
XLogP1.81
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-ethoxy-6-propan-2-ylpyrimidine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-ethoxy-2-methylpyrimidin-4-yl)butan-2-ol
CID 66331506
8-bromo-2-ethoxy-4-propan-2-ylquinoline
CID 58755567
2-(6-ethoxy-2-ethylpyrimidin-4-yl)propan-1-amine
CID 83884584
2-ethoxy-4-propan-2-yl-6-propylpyridine
CID 167036452
4-ethoxy-2-propan-2-ylpyrimidine-5-carbaldehyde
CID 83878862
4-ethyl-6-methylpyrimidine-2-carbaldehyde
CID 116894348
5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carbaldehyde
CID 163271022
2-ethyl-4-[(4-methylphenyl)methoxy]-6-propan-2-ylpyrimidine
CID 95923442
1-(5-ethoxypyrazin-2-yl)ethanamine
CID 118255855
2-amino-2-(6-ethoxypyrimidin-4-yl)acetic acid
CID 83880025
(2-ethoxy-6-propan-2-yloxy-4-pyridinyl)methanol
CID 130406900
methoxymethane;4-propan-2-yloxypyrimidine-2-carbaldehyde
CID 142960710

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-propan-2-ylpyrimidine-2-carbaldehyde?
The IUPAC name of 4-ethoxy-6-propan-2-ylpyrimidine-2-carbaldehyde (CID 83878852) is 4-ethoxy-6-propan-2-ylpyrimidine-2-carbaldehyde.
What is the SMILES notation for 4-ethoxy-6-propan-2-ylpyrimidine-2-carbaldehyde?
The canonical SMILES for 4-ethoxy-6-propan-2-ylpyrimidine-2-carbaldehyde is CCOc1cc(C(C)C)nc(C=O)n1.
What is the InChIKey of 4-ethoxy-6-propan-2-ylpyrimidine-2-carbaldehyde?
The InChIKey is WKRYZVASZAQXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-4-14-10-5-8(7(2)3)11-9(6-13)12-10/h5-7H,4H2,1-3H3.
What are the key properties of 4-ethoxy-6-propan-2-ylpyrimidine-2-carbaldehyde?
4-ethoxy-6-propan-2-ylpyrimidine-2-carbaldehyde has a molecular weight of 194.23 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-propan-2-ylpyrimidine-2-carbaldehyde is sourced from PubChem (CID 83878852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).