4-(4-chlorophenyl)-2-(4-methylphenoxy)-6-(trifluoromethyl)pyrimidine

C18H12ClF3N2O — CID 1394393

IUPAC4-(4-chlorophenyl)-2-(4-methylphenoxy)-6-(trifluoromethyl)pyrimidine
SMILESCc1ccc(Oc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1
InChIInChI=1S/C18H12ClF3N2O/c1-11-2-8-14(9-3-11)25-17-23-15(10-16(24-17)18(20,21)22)12-4-6-13(19)7-5-12/h2-10H,1H3
InChIKeyXNSHQHVSRNQUDD-UHFFFAOYSA-N
MW364.75 g/mol
LogP5.92
Rot. Bonds3

About 4-(4-chlorophenyl)-2-(4-methylphenoxy)-6-(trifluoromethyl)pyrimidine

4-(4-chlorophenyl)-2-(4-methylphenoxy)-6-(trifluoromethyl)pyrimidine (PubChem CID 1394393) has the molecular formula C18H12ClF3N2O and a molecular weight of 364.75 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(4-methylphenoxy)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(4-methylphenoxy)-6-(trifluoromethyl)pyrimidine
PubChem CID1394393
Molecular FormulaC18H12ClF3N2O
Molecular Weight364.75 g/mol
Exact Mass364.06
IUPAC Name4-(4-chlorophenyl)-2-(4-methylphenoxy)-6-(trifluoromethyl)pyrimidine
SMILESCc1ccc(Oc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1
InChIInChI=1S/C18H12ClF3N2O/c1-11-2-8-14(9-3-11)25-17-23-15(10-16(24-17)18(20,21)22)12-4-6-13(19)7-5-12/h2-10H,1H3
InChIKeyXNSHQHVSRNQUDD-UHFFFAOYSA-N
XLogP5.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.75
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(4-methylphenoxy)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-2-(4-methylphenoxy)-6-(trifluoromethyl)pyrimidine (CID 1394393) is 4-(4-chlorophenyl)-2-(4-methylphenoxy)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(4-methylphenoxy)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-2-(4-methylphenoxy)-6-(trifluoromethyl)pyrimidine is Cc1ccc(Oc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(4-methylphenoxy)-6-(trifluoromethyl)pyrimidine?
The InChIKey is XNSHQHVSRNQUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N2O/c1-11-2-8-14(9-3-11)25-17-23-15(10-16(24-17)18(20,21)22)12-4-6-13(19)7-5-12/h2-10H,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-(4-methylphenoxy)-6-(trifluoromethyl)pyrimidine?
4-(4-chlorophenyl)-2-(4-methylphenoxy)-6-(trifluoromethyl)pyrimidine has a molecular weight of 364.75 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(4-methylphenoxy)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 1394393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).