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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Related Compounds

2-chloro-4-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine
CID 57468690
4-(4-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 100981573
4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 154708171
2,4,6-tris(2,4-dichlorophenyl)pyridine
CID 86059634
4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 132609554
2-(2,4-dichlorophenyl)-3-fluoro-6-(trifluoromethyl)pyridine
CID 118836217
2-[3-[4-chloro-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177250533
2,4-dichloro-1-phenylbenzene;methane;dihydrochloride
CID 175257985
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 10237877
4-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(3-phenylphenyl)-6-(trifluoromethyl)pyrimidine
CID 151250350
4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563203
4-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2-thione
CID 91926908

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).