5-chloro-2,4-diphenyl-6-(trifluoromethyl)pyrimidine

C17H10ClF3N2 — CID 135006305

IUPAC5-chloro-2,4-diphenyl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(-c2ccccc2)nc(-c2ccccc2)c1Cl
InChIInChI=1S/C17H10ClF3N2/c18-13-14(11-7-3-1-4-8-11)22-16(12-9-5-2-6-10-12)23-15(13)17(19,20)21/h1-10H
InChIKeyKTALNXPLLNPFHJ-UHFFFAOYSA-N
MW334.73 g/mol
LogP5.48
Rot. Bonds2

About 5-chloro-2,4-diphenyl-6-(trifluoromethyl)pyrimidine

5-chloro-2,4-diphenyl-6-(trifluoromethyl)pyrimidine (PubChem CID 135006305) has the molecular formula C17H10ClF3N2 and a molecular weight of 334.73 g/mol. Its IUPAC name is 5-chloro-2,4-diphenyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-chloro-2,4-diphenyl-6-(trifluoromethyl)pyrimidine
PubChem CID135006305
Molecular FormulaC17H10ClF3N2
Molecular Weight334.73 g/mol
Exact Mass334.05
IUPAC Name5-chloro-2,4-diphenyl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(-c2ccccc2)nc(-c2ccccc2)c1Cl
InChIInChI=1S/C17H10ClF3N2/c18-13-14(11-7-3-1-4-8-11)22-16(12-9-5-2-6-10-12)23-15(13)17(19,20)21/h1-10H
InChIKeyKTALNXPLLNPFHJ-UHFFFAOYSA-N
XLogP5.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.73
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[5-chloro-6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]propane-1,2-diol
CID 139886556
2-phenyl-4-(trifluoromethyl)-7,8-dihydro-5H-quinazolin-6-one
CID 57367070
6-(4-chlorophenyl)-3-phenyl-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine
CID 6405015
3-chloro-2,4-diphenylquinoline
CID 10781654
2-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 46314749
2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 22476006
5-(4-chlorophenyl)-3,6-diphenyl-1,2,4-triazine
CID 134997336
2-(4-chlorophenyl)-4-phenylbenzo[h]quinazoline
CID 163453888
4-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazole
CID 10263127
4-(2,4-dichlorophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 91926431
phenyl-(2,4,6-triphenylpyrimidin-5-yl)methanone
CID 12782476
4-methyl-2,6-diphenylpyrimidin-5-ol
CID 135012179

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-diphenyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-chloro-2,4-diphenyl-6-(trifluoromethyl)pyrimidine (CID 135006305) is 5-chloro-2,4-diphenyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-chloro-2,4-diphenyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-chloro-2,4-diphenyl-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1nc(-c2ccccc2)nc(-c2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-2,4-diphenyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is KTALNXPLLNPFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N2/c18-13-14(11-7-3-1-4-8-11)22-16(12-9-5-2-6-10-12)23-15(13)17(19,20)21/h1-10H.
What are the key properties of 5-chloro-2,4-diphenyl-6-(trifluoromethyl)pyrimidine?
5-chloro-2,4-diphenyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 334.73 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-diphenyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 135006305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).