4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carbaldehyde

C18H13FN2O — CID 14513895

IUPAC4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carbaldehyde
SMILESCc1nc(-c2ccccc2)nc(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C18H13FN2O/c1-12-16(11-22)17(13-7-9-15(19)10-8-13)21-18(20-12)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyXQMDOOHRBMQHPG-UHFFFAOYSA-N
MW292.31 g/mol
LogP4.07
Rot. Bonds3

About 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carbaldehyde

4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carbaldehyde (PubChem CID 14513895) has the molecular formula C18H13FN2O and a molecular weight of 292.31 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carbaldehyde
PubChem CID14513895
Molecular FormulaC18H13FN2O
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carbaldehyde
SMILESCc1nc(-c2ccccc2)nc(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C18H13FN2O/c1-12-16(11-22)17(13-7-9-15(19)10-8-13)21-18(20-12)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyXQMDOOHRBMQHPG-UHFFFAOYSA-N
XLogP4.07
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-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-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carbaldehyde (CID 14513895) is 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carbaldehyde is Cc1nc(-c2ccccc2)nc(-c2ccc(F)cc2)c1C=O.
What is the InChIKey of 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carbaldehyde?
The InChIKey is XQMDOOHRBMQHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O/c1-12-16(11-22)17(13-7-9-15(19)10-8-13)21-18(20-12)14-5-3-2-4-6-14/h2-11H,1H3.
What are the key properties of 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carbaldehyde?
4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carbaldehyde has a molecular weight of 292.31 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 14513895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).