4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine

C21H19F3N2 — CID 132609554

IUPAC4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
SMILESCC(C)(C)c1ccc(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H19F3N2/c1-20(2,3)16-11-9-14(10-12-16)17-13-18(21(22,23)24)26-19(25-17)15-7-5-4-6-8-15/h4-13H,1-3H3
InChIKeyMBARVFRGPILNRV-UHFFFAOYSA-N
MW356.39 g/mol
LogP6.13
Rot. Bonds2

About 4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine

4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine (PubChem CID 132609554) has the molecular formula C21H19F3N2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
PubChem CID132609554
Molecular FormulaC21H19F3N2
Molecular Weight356.39 g/mol
Exact Mass356.15
IUPAC Name4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
SMILESCC(C)(C)c1ccc(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H19F3N2/c1-20(2,3)16-11-9-14(10-12-16)17-13-18(21(22,23)24)26-19(25-17)15-7-5-4-6-8-15/h4-13H,1-3H3
InChIKeyMBARVFRGPILNRV-UHFFFAOYSA-N
XLogP6.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.39
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 100981573
2-tert-butyl-4,6-diphenylpyrimidine;4-tert-butyl-2,6-diphenylpyrimidine;2-(3-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenylpyrimidine;4-(4-tert-butylphenyl)-2,6-diphenylpyrimidine
CID 160500413
2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenylpyrimidine
CID 121315643
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 154708171
4-(4-tert-butylphenyl)-14-phenyl-3,5,13,15,28,30-hexazahexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(25),2(30),3,5,7,9,11(29),12,14,16(28),17,19,21(27),22(26),23-pentadecaene
CID 134507698
2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine
CID 58261754
4-tert-butyl-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 155790859
2,4-bis(4-tert-butylphenyl)-6-[4-[4-(5-phenyl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 67334150
2-tert-butyl-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-tert-butyl-4,6-diphenylpyrimidine;2-(3-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenyl-1,3,5-triazine;2-tert-butyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 159252272
2-(4-bromophenyl)-4,6-bis(4-tert-butylphenyl)pyrimidine
CID 118642287
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine (CID 132609554) is 4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine is CC(C)(C)c1ccc(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is MBARVFRGPILNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2/c1-20(2,3)16-11-9-14(10-12-16)17-13-18(21(22,23)24)26-19(25-17)15-7-5-4-6-8-15/h4-13H,1-3H3.
What are the key properties of 4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine?
4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 356.39 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 132609554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).