2-ethyl-6-propan-2-yloxypyrimidine-4-carbaldehyde

C10H14N2O2 — CID 83878859

IUPAC2-ethyl-6-propan-2-yloxypyrimidine-4-carbaldehyde
SMILESCCc1nc(C=O)cc(OC(C)C)n1
InChIInChI=1S/C10H14N2O2/c1-4-9-11-8(6-13)5-10(12-9)14-7(2)3/h5-7H,4H2,1-3H3
InChIKeyOOLJAWVAANTNIS-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.64
Rot. Bonds4

About 2-ethyl-6-propan-2-yloxypyrimidine-4-carbaldehyde

2-ethyl-6-propan-2-yloxypyrimidine-4-carbaldehyde (PubChem CID 83878859) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-ethyl-6-propan-2-yloxypyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-6-propan-2-yloxypyrimidine-4-carbaldehyde
PubChem CID83878859
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-ethyl-6-propan-2-yloxypyrimidine-4-carbaldehyde
SMILESCCc1nc(C=O)cc(OC(C)C)n1
InChIInChI=1S/C10H14N2O2/c1-4-9-11-8(6-13)5-10(12-9)14-7(2)3/h5-7H,4H2,1-3H3
InChIKeyOOLJAWVAANTNIS-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethyl-6-propan-2-yloxypyrimidine-4-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-propan-2-yloxypyrimidine-4-carbaldehyde?
The IUPAC name of 2-ethyl-6-propan-2-yloxypyrimidine-4-carbaldehyde (CID 83878859) is 2-ethyl-6-propan-2-yloxypyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-ethyl-6-propan-2-yloxypyrimidine-4-carbaldehyde?
The canonical SMILES for 2-ethyl-6-propan-2-yloxypyrimidine-4-carbaldehyde is CCc1nc(C=O)cc(OC(C)C)n1.
What is the InChIKey of 2-ethyl-6-propan-2-yloxypyrimidine-4-carbaldehyde?
The InChIKey is OOLJAWVAANTNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-4-9-11-8(6-13)5-10(12-9)14-7(2)3/h5-7H,4H2,1-3H3.
What are the key properties of 2-ethyl-6-propan-2-yloxypyrimidine-4-carbaldehyde?
2-ethyl-6-propan-2-yloxypyrimidine-4-carbaldehyde has a molecular weight of 194.23 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-propan-2-yloxypyrimidine-4-carbaldehyde is sourced from PubChem (CID 83878859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).