4-chloro-2-methyl-6-(4-propylphenyl)pyrimidine-5-carbaldehyde

C15H15ClN2O — CID 80725406

IUPAC4-chloro-2-methyl-6-(4-propylphenyl)pyrimidine-5-carbaldehyde
SMILESCCCc1ccc(-c2nc(C)nc(Cl)c2C=O)cc1
InChIInChI=1S/C15H15ClN2O/c1-3-4-11-5-7-12(8-6-11)14-13(9-19)15(16)18-10(2)17-14/h5-9H,3-4H2,1-2H3
InChIKeyCGVAOGVLSXADNM-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.87
Rot. Bonds4

About 4-chloro-2-methyl-6-(4-propylphenyl)pyrimidine-5-carbaldehyde

4-chloro-2-methyl-6-(4-propylphenyl)pyrimidine-5-carbaldehyde (PubChem CID 80725406) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-(4-propylphenyl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-methyl-6-(4-propylphenyl)pyrimidine-5-carbaldehyde
PubChem CID80725406
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name4-chloro-2-methyl-6-(4-propylphenyl)pyrimidine-5-carbaldehyde
SMILESCCCc1ccc(-c2nc(C)nc(Cl)c2C=O)cc1
InChIInChI=1S/C15H15ClN2O/c1-3-4-11-5-7-12(8-6-11)14-13(9-19)15(16)18-10(2)17-14/h5-9H,3-4H2,1-2H3
InChIKeyCGVAOGVLSXADNM-UHFFFAOYSA-N
XLogP3.87
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-methyl-6-(4-propylphenyl)pyrimidine-5-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 4-chloro-2-methyl-6-(4-propylphenyl)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-2-methyl-6-(4-propylphenyl)pyrimidine-5-carbaldehyde (CID 80725406) is 4-chloro-2-methyl-6-(4-propylphenyl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-methyl-6-(4-propylphenyl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-methyl-6-(4-propylphenyl)pyrimidine-5-carbaldehyde is CCCc1ccc(-c2nc(C)nc(Cl)c2C=O)cc1.
What is the InChIKey of 4-chloro-2-methyl-6-(4-propylphenyl)pyrimidine-5-carbaldehyde?
The InChIKey is CGVAOGVLSXADNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-3-4-11-5-7-12(8-6-11)14-13(9-19)15(16)18-10(2)17-14/h5-9H,3-4H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-6-(4-propylphenyl)pyrimidine-5-carbaldehyde?
4-chloro-2-methyl-6-(4-propylphenyl)pyrimidine-5-carbaldehyde has a molecular weight of 274.75 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-(4-propylphenyl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 80725406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).