4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidine-5-carbaldehyde

C20H17FN2O — CID 14513901

IUPAC4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidine-5-carbaldehyde
SMILESCC(C)c1nc(-c2ccccc2)nc(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C20H17FN2O/c1-13(2)18-17(12-24)19(14-8-10-16(21)11-9-14)23-20(22-18)15-6-4-3-5-7-15/h3-13H,1-2H3
InChIKeyZCWOHBSQTYBSRW-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.89
Rot. Bonds4

About 4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidine-5-carbaldehyde

4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidine-5-carbaldehyde (PubChem CID 14513901) has the molecular formula C20H17FN2O and a molecular weight of 320.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidine-5-carbaldehyde
PubChem CID14513901
Molecular FormulaC20H17FN2O
Molecular Weight320.37 g/mol
Exact Mass320.13
IUPAC Name4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidine-5-carbaldehyde
SMILESCC(C)c1nc(-c2ccccc2)nc(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C20H17FN2O/c1-13(2)18-17(12-24)19(14-8-10-16(21)11-9-14)23-20(22-18)15-6-4-3-5-7-15/h3-13H,1-2H3
InChIKeyZCWOHBSQTYBSRW-UHFFFAOYSA-N
XLogP4.89
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidine-5-carbaldehyde (CID 14513901) is 4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidine-5-carbaldehyde is CC(C)c1nc(-c2ccccc2)nc(-c2ccc(F)cc2)c1C=O.
What is the InChIKey of 4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidine-5-carbaldehyde?
The InChIKey is ZCWOHBSQTYBSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O/c1-13(2)18-17(12-24)19(14-8-10-16(21)11-9-14)23-20(22-18)15-6-4-3-5-7-15/h3-13H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidine-5-carbaldehyde?
4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidine-5-carbaldehyde has a molecular weight of 320.37 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 14513901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).