4-(2,4-dichlorophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine

C17H9Cl2F3N2 — CID 91926431

IUPAC4-(2,4-dichlorophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C17H9Cl2F3N2/c18-11-6-7-12(13(19)8-11)14-9-15(17(20,21)22)24-16(23-14)10-4-2-1-3-5-10/h1-9H
InChIKeyGEZNZWKHNPIQPI-UHFFFAOYSA-N
MW369.17 g/mol
LogP6.14
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine

4-(2,4-dichlorophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine (PubChem CID 91926431) has the molecular formula C17H9Cl2F3N2 and a molecular weight of 369.17 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
PubChem CID91926431
Molecular FormulaC17H9Cl2F3N2
Molecular Weight369.17 g/mol
Exact Mass368.01
IUPAC Name4-(2,4-dichlorophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C17H9Cl2F3N2/c18-11-6-7-12(13(19)8-11)14-9-15(17(20,21)22)24-16(23-14)10-4-2-1-3-5-10/h1-9H
InChIKeyGEZNZWKHNPIQPI-UHFFFAOYSA-N
XLogP6.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.17
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(2,4-dichlorophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine (CID 91926431) is 4-(2,4-dichlorophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(-c2ccc(Cl)cc2Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is GEZNZWKHNPIQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2F3N2/c18-11-6-7-12(13(19)8-11)14-9-15(17(20,21)22)24-16(23-14)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 4-(2,4-dichlorophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine?
4-(2,4-dichlorophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 369.17 g/mol, XLogP of 6.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 91926431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).