4-tert-butyl-6-[4-(trifluoromethyl)phenyl]pyrimidine

C15H15F3N2 — CID 118230557

IUPAC4-tert-butyl-6-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESCC(C)(C)c1cc(-c2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C15H15F3N2/c1-14(2,3)13-8-12(19-9-20-13)10-4-6-11(7-5-10)15(16,17)18/h4-9H,1-3H3
InChIKeyGVCZQWAAUOVTID-UHFFFAOYSA-N
MW280.29 g/mol
LogP4.46
Rot. Bonds1

About 4-tert-butyl-6-[4-(trifluoromethyl)phenyl]pyrimidine

4-tert-butyl-6-[4-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 118230557) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-tert-butyl-6-[4-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-[4-(trifluoromethyl)phenyl]pyrimidine
PubChem CID118230557
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name4-tert-butyl-6-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESCC(C)(C)c1cc(-c2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C15H15F3N2/c1-14(2,3)13-8-12(19-9-20-13)10-4-6-11(7-5-10)15(16,17)18/h4-9H,1-3H3
InChIKeyGVCZQWAAUOVTID-UHFFFAOYSA-N
XLogP4.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(1,1-difluoroethyl)phenyl]-6-(trifluoromethyl)pyrimidine
CID 90433973
CID 161497467
CID 161497467
2,4-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134617794
N-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 10381898
1-[6-[3-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 87214645
N-(2-propylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 143320872
4-tert-butyl-6-pyrimidin-2-ylpyrimidine
CID 162488354
4-ethyl-2-[4-(trifluoromethyl)phenyl]pyridine
CID 145238167
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 132609554
5-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butylpyridine
CID 20709477
2-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 145476630

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4-tert-butyl-6-[4-(trifluoromethyl)phenyl]pyrimidine (CID 118230557) is 4-tert-butyl-6-[4-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-tert-butyl-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4-tert-butyl-6-[4-(trifluoromethyl)phenyl]pyrimidine is CC(C)(C)c1cc(-c2ccc(C(F)(F)F)cc2)ncn1.
What is the InChIKey of 4-tert-butyl-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is GVCZQWAAUOVTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-14(2,3)13-8-12(19-9-20-13)10-4-6-11(7-5-10)15(16,17)18/h4-9H,1-3H3.
What are the key properties of 4-tert-butyl-6-[4-(trifluoromethyl)phenyl]pyrimidine?
4-tert-butyl-6-[4-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 280.29 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-[4-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 118230557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).