5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidine

C23H13Cl3F2N2O — CID 10322804

IUPAC5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidine
SMILESFc1ccc(COc2ncc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)n2)cc1F
InChIInChI=1S/C23H13Cl3F2N2O/c24-15-4-2-14(3-5-15)18-11-29-23(31-12-13-1-8-20(27)21(28)9-13)30-22(18)17-7-6-16(25)10-19(17)26/h1-11H,12H2
InChIKeyVQFANXUNBIXZEG-UHFFFAOYSA-N
MW477.73 g/mol
LogP7.63
Rot. Bonds5

About 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidine

5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidine (PubChem CID 10322804) has the molecular formula C23H13Cl3F2N2O and a molecular weight of 477.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidine
PubChem CID10322804
Molecular FormulaC23H13Cl3F2N2O
Molecular Weight477.73 g/mol
Exact Mass476.01
IUPAC Name5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidine
SMILESFc1ccc(COc2ncc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)n2)cc1F
InChIInChI=1S/C23H13Cl3F2N2O/c24-15-4-2-14(3-5-15)18-11-29-23(31-12-13-1-8-20(27)21(28)9-13)30-22(18)17-7-6-16(25)10-19(17)26/h1-11H,12H2
InChIKeyVQFANXUNBIXZEG-UHFFFAOYSA-N
XLogP7.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.73
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidine 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 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidine (CID 10322804) is 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidine is Fc1ccc(COc2ncc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)n2)cc1F.
What is the InChIKey of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidine?
The InChIKey is VQFANXUNBIXZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13Cl3F2N2O/c24-15-4-2-14(3-5-15)18-11-29-23(31-12-13-1-8-20(27)21(28)9-13)30-22(18)17-7-6-16(25)10-19(17)26/h1-11H,12H2.
What are the key properties of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidine?
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidine has a molecular weight of 477.73 g/mol, XLogP of 7.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidine is sourced from PubChem (CID 10322804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).