4-methyl-2,6-diphenylpyrimidine-5-carbaldehyde

C18H14N2O — CID 14878093

IUPAC4-methyl-2,6-diphenylpyrimidine-5-carbaldehyde
SMILESCc1nc(-c2ccccc2)nc(-c2ccccc2)c1C=O
InChIInChI=1S/C18H14N2O/c1-13-16(12-21)17(14-8-4-2-5-9-14)20-18(19-13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyOLOWJTUQJRYMBA-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.93
Rot. Bonds3

About 4-methyl-2,6-diphenylpyrimidine-5-carbaldehyde

4-methyl-2,6-diphenylpyrimidine-5-carbaldehyde (PubChem CID 14878093) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-methyl-2,6-diphenylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-methyl-2,6-diphenylpyrimidine-5-carbaldehyde
PubChem CID14878093
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name4-methyl-2,6-diphenylpyrimidine-5-carbaldehyde
SMILESCc1nc(-c2ccccc2)nc(-c2ccccc2)c1C=O
InChIInChI=1S/C18H14N2O/c1-13-16(12-21)17(14-8-4-2-5-9-14)20-18(19-13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyOLOWJTUQJRYMBA-UHFFFAOYSA-N
XLogP3.93
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-2,6-diphenylpyrimidine-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-methyl-2,6-diphenylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-methyl-2,6-diphenylpyrimidine-5-carbaldehyde (CID 14878093) is 4-methyl-2,6-diphenylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-methyl-2,6-diphenylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-methyl-2,6-diphenylpyrimidine-5-carbaldehyde is Cc1nc(-c2ccccc2)nc(-c2ccccc2)c1C=O.
What is the InChIKey of 4-methyl-2,6-diphenylpyrimidine-5-carbaldehyde?
The InChIKey is OLOWJTUQJRYMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-13-16(12-21)17(14-8-4-2-5-9-14)20-18(19-13)15-10-6-3-7-11-15/h2-12H,1H3.
What are the key properties of 4-methyl-2,6-diphenylpyrimidine-5-carbaldehyde?
4-methyl-2,6-diphenylpyrimidine-5-carbaldehyde has a molecular weight of 274.32 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-diphenylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 14878093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).