6-ethyl-5-(4-fluorophenyl)-3-[(4-phenylphenyl)methyl]-2-propylpyrimidin-4-one

C28H27FN2O — CID 141208917

IUPAC6-ethyl-5-(4-fluorophenyl)-3-[(4-phenylphenyl)methyl]-2-propylpyrimidin-4-one
SMILESCCCc1nc(CC)c(-c2ccc(F)cc2)c(=O)n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H27FN2O/c1-3-8-26-30-25(4-2)27(23-15-17-24(29)18-16-23)28(32)31(26)19-20-11-13-22(14-12-20)21-9-6-5-7-10-21/h5-7,9-18H,3-4,8,19H2,1-2H3
InChIKeyKGEJAYKTWVHQEM-UHFFFAOYSA-N
MW426.54 g/mol
LogP6.28
Rot. Bonds7

About 6-ethyl-5-(4-fluorophenyl)-3-[(4-phenylphenyl)methyl]-2-propylpyrimidin-4-one

6-ethyl-5-(4-fluorophenyl)-3-[(4-phenylphenyl)methyl]-2-propylpyrimidin-4-one (PubChem CID 141208917) has the molecular formula C28H27FN2O and a molecular weight of 426.54 g/mol. Its IUPAC name is 6-ethyl-5-(4-fluorophenyl)-3-[(4-phenylphenyl)methyl]-2-propylpyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-5-(4-fluorophenyl)-3-[(4-phenylphenyl)methyl]-2-propylpyrimidin-4-one
PubChem CID141208917
Molecular FormulaC28H27FN2O
Molecular Weight426.54 g/mol
Exact Mass426.21
IUPAC Name6-ethyl-5-(4-fluorophenyl)-3-[(4-phenylphenyl)methyl]-2-propylpyrimidin-4-one
SMILESCCCc1nc(CC)c(-c2ccc(F)cc2)c(=O)n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H27FN2O/c1-3-8-26-30-25(4-2)27(23-15-17-24(29)18-16-23)28(32)31(26)19-20-11-13-22(14-12-20)21-9-6-5-7-10-21/h5-7,9-18H,3-4,8,19H2,1-2H3
InChIKeyKGEJAYKTWVHQEM-UHFFFAOYSA-N
XLogP6.28
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.54
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-ethyl-5-(4-fluorophenyl)-3-[(4-phenylphenyl)methyl]-2-propylpyrimidin-4-one 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-ethyl-5-(4-fluorophenyl)-3-[(4-phenylphenyl)methyl]-2-propylpyrimidin-4-one?
The IUPAC name of 6-ethyl-5-(4-fluorophenyl)-3-[(4-phenylphenyl)methyl]-2-propylpyrimidin-4-one (CID 141208917) is 6-ethyl-5-(4-fluorophenyl)-3-[(4-phenylphenyl)methyl]-2-propylpyrimidin-4-one.
What is the SMILES notation for 6-ethyl-5-(4-fluorophenyl)-3-[(4-phenylphenyl)methyl]-2-propylpyrimidin-4-one?
The canonical SMILES for 6-ethyl-5-(4-fluorophenyl)-3-[(4-phenylphenyl)methyl]-2-propylpyrimidin-4-one is CCCc1nc(CC)c(-c2ccc(F)cc2)c(=O)n1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 6-ethyl-5-(4-fluorophenyl)-3-[(4-phenylphenyl)methyl]-2-propylpyrimidin-4-one?
The InChIKey is KGEJAYKTWVHQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN2O/c1-3-8-26-30-25(4-2)27(23-15-17-24(29)18-16-23)28(32)31(26)19-20-11-13-22(14-12-20)21-9-6-5-7-10-21/h5-7,9-18H,3-4,8,19H2,1-2H3.
What are the key properties of 6-ethyl-5-(4-fluorophenyl)-3-[(4-phenylphenyl)methyl]-2-propylpyrimidin-4-one?
6-ethyl-5-(4-fluorophenyl)-3-[(4-phenylphenyl)methyl]-2-propylpyrimidin-4-one has a molecular weight of 426.54 g/mol, XLogP of 6.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(4-fluorophenyl)-3-[(4-phenylphenyl)methyl]-2-propylpyrimidin-4-one is sourced from PubChem (CID 141208917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).