5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine

C24H16Cl3FN2O — CID 10480002

IUPAC5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine
SMILESCC(Oc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1)c1ccc(F)cc1
InChIInChI=1S/C24H16Cl3FN2O/c1-14(15-4-9-19(28)10-5-15)31-24-29-13-21(16-2-6-17(25)7-3-16)23(30-24)20-11-8-18(26)12-22(20)27/h2-14H,1H3
InChIKeyVPXWIAKTGJDKOT-UHFFFAOYSA-N
MW473.76 g/mol
LogP8.05
Rot. Bonds5

About 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine

5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine (PubChem CID 10480002) has the molecular formula C24H16Cl3FN2O and a molecular weight of 473.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine
PubChem CID10480002
Molecular FormulaC24H16Cl3FN2O
Molecular Weight473.76 g/mol
Exact Mass472.03
IUPAC Name5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine
SMILESCC(Oc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1)c1ccc(F)cc1
InChIInChI=1S/C24H16Cl3FN2O/c1-14(15-4-9-19(28)10-5-15)31-24-29-13-21(16-2-6-17(25)7-3-16)23(30-24)20-11-8-18(26)12-22(20)27/h2-14H,1H3
InChIKeyVPXWIAKTGJDKOT-UHFFFAOYSA-N
XLogP8.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.76
LogP ≤ 58.05
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-[1-(4-fluorophenyl)ethoxy]pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine (CID 10480002) is 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine is CC(Oc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1)c1ccc(F)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine?
The InChIKey is VPXWIAKTGJDKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl3FN2O/c1-14(15-4-9-19(28)10-5-15)31-24-29-13-21(16-2-6-17(25)7-3-16)23(30-24)20-11-8-18(26)12-22(20)27/h2-14H,1H3.
What are the key properties of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine?
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[1-(4-fluorophenyl)ethoxy]pyrimidine has a molecular weight of 473.76 g/mol, XLogP of 8.05, 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-[1-(4-fluorophenyl)ethoxy]pyrimidine is sourced from PubChem (CID 10480002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).