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

C23H14Cl3FN2O — CID 59753910

IUPAC5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methoxy]pyrimidine
SMILESFc1cccc(COc2ncc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)n2)c1
InChIInChI=1S/C23H14Cl3FN2O/c24-16-6-4-15(5-7-16)20-12-28-23(30-13-14-2-1-3-18(27)10-14)29-22(20)19-9-8-17(25)11-21(19)26/h1-12H,13H2
InChIKeyNXIAMIFRPVNUGR-UHFFFAOYSA-N
MW459.74 g/mol
LogP7.49
Rot. Bonds5

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

5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methoxy]pyrimidine (PubChem CID 59753910) has the molecular formula C23H14Cl3FN2O and a molecular weight of 459.74 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methoxy]pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methoxy]pyrimidine
PubChem CID59753910
Molecular FormulaC23H14Cl3FN2O
Molecular Weight459.74 g/mol
Exact Mass458.02
IUPAC Name5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methoxy]pyrimidine
SMILESFc1cccc(COc2ncc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)n2)c1
InChIInChI=1S/C23H14Cl3FN2O/c24-16-6-4-15(5-7-16)20-12-28-23(30-13-14-2-1-3-18(27)10-14)29-22(20)19-9-8-17(25)11-21(19)26/h1-12H,13H2
InChIKeyNXIAMIFRPVNUGR-UHFFFAOYSA-N
XLogP7.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.74
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methoxy]pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methoxy]pyrimidine (CID 59753910) is 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methoxy]pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methoxy]pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methoxy]pyrimidine is Fc1cccc(COc2ncc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)n2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methoxy]pyrimidine?
The InChIKey is NXIAMIFRPVNUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl3FN2O/c24-16-6-4-15(5-7-16)20-12-28-23(30-13-14-2-1-3-18(27)10-14)29-22(20)19-9-8-17(25)11-21(19)26/h1-12H,13H2.
What are the key properties of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methoxy]pyrimidine?
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methoxy]pyrimidine has a molecular weight of 459.74 g/mol, XLogP of 7.49, 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-fluorophenyl)methoxy]pyrimidine is sourced from PubChem (CID 59753910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).