6-(2-methylpropoxy)-2-(trifluoromethyl)pyrimidine-4-carbaldehyde

C10H11F3N2O2 — CID 83900289

IUPAC6-(2-methylpropoxy)-2-(trifluoromethyl)pyrimidine-4-carbaldehyde
SMILESCC(C)COc1cc(C=O)nc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N2O2/c1-6(2)5-17-8-3-7(4-16)14-9(15-8)10(11,12)13/h3-4,6H,5H2,1-2H3
InChIKeyQCJPYWDINNZGDX-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.34
Rot. Bonds4

About 6-(2-methylpropoxy)-2-(trifluoromethyl)pyrimidine-4-carbaldehyde

6-(2-methylpropoxy)-2-(trifluoromethyl)pyrimidine-4-carbaldehyde (PubChem CID 83900289) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 6-(2-methylpropoxy)-2-(trifluoromethyl)pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-(2-methylpropoxy)-2-(trifluoromethyl)pyrimidine-4-carbaldehyde
PubChem CID83900289
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name6-(2-methylpropoxy)-2-(trifluoromethyl)pyrimidine-4-carbaldehyde
SMILESCC(C)COc1cc(C=O)nc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N2O2/c1-6(2)5-17-8-3-7(4-16)14-9(15-8)10(11,12)13/h3-4,6H,5H2,1-2H3
InChIKeyQCJPYWDINNZGDX-UHFFFAOYSA-N
XLogP2.34
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(2-methylpropoxy)-2-(trifluoromethyl)pyrimidine-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 6-(2-methylpropoxy)-2-(trifluoromethyl)pyrimidine-4-carbaldehyde?
The IUPAC name of 6-(2-methylpropoxy)-2-(trifluoromethyl)pyrimidine-4-carbaldehyde (CID 83900289) is 6-(2-methylpropoxy)-2-(trifluoromethyl)pyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-(2-methylpropoxy)-2-(trifluoromethyl)pyrimidine-4-carbaldehyde?
The canonical SMILES for 6-(2-methylpropoxy)-2-(trifluoromethyl)pyrimidine-4-carbaldehyde is CC(C)COc1cc(C=O)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(2-methylpropoxy)-2-(trifluoromethyl)pyrimidine-4-carbaldehyde?
The InChIKey is QCJPYWDINNZGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-6(2)5-17-8-3-7(4-16)14-9(15-8)10(11,12)13/h3-4,6H,5H2,1-2H3.
What are the key properties of 6-(2-methylpropoxy)-2-(trifluoromethyl)pyrimidine-4-carbaldehyde?
6-(2-methylpropoxy)-2-(trifluoromethyl)pyrimidine-4-carbaldehyde has a molecular weight of 248.20 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropoxy)-2-(trifluoromethyl)pyrimidine-4-carbaldehyde is sourced from PubChem (CID 83900289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).