2-(2-phenyl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine

C22H12F6N4 — CID 141215419

IUPAC2-(2-phenyl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2cc(C(F)(F)F)nc(-c3ccnc(-c4ccccc4)c3)n2)cn1
InChIInChI=1S/C22H12F6N4/c23-21(24,25)18-7-6-15(12-30-18)17-11-19(22(26,27)28)32-20(31-17)14-8-9-29-16(10-14)13-4-2-1-3-5-13/h1-12H
InChIKeyZEJZSXAXGYQBIQ-UHFFFAOYSA-N
MW446.35 g/mol
LogP6.31
Rot. Bonds3

About 2-(2-phenyl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine

2-(2-phenyl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine (PubChem CID 141215419) has the molecular formula C22H12F6N4 and a molecular weight of 446.35 g/mol. Its IUPAC name is 2-(2-phenyl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name2-(2-phenyl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
PubChem CID141215419
Molecular FormulaC22H12F6N4
Molecular Weight446.35 g/mol
Exact Mass446.10
IUPAC Name2-(2-phenyl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2cc(C(F)(F)F)nc(-c3ccnc(-c4ccccc4)c3)n2)cn1
InChIInChI=1S/C22H12F6N4/c23-21(24,25)18-7-6-15(12-30-18)17-11-19(22(26,27)28)32-20(31-17)14-8-9-29-16(10-14)13-4-2-1-3-5-13/h1-12H
InChIKeyZEJZSXAXGYQBIQ-UHFFFAOYSA-N
XLogP6.31
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.35
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-pyridin-3-yl-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 86615453
5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine
CID 68697302
2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid
CID 140555411
2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid;hydrochloride
CID 140555410
2-[2-[4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]phenyl]benzoic acid
CID 118577213
4-(4-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 100981573
2-chloro-5-[3-[4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]phenyl]benzoic acid;ethane
CID 144977363
3-[4-[4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide
CID 57469114
4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 132609554
N-(methylaminomethyl)-3-[4-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide
CID 150767117
[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methanamine
CID 118222664
3-[4-[4-[3-ethoxy-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide
CID 57469119

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The IUPAC name of 2-(2-phenyl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine (CID 141215419) is 2-(2-phenyl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine.
What is the SMILES notation for 2-(2-phenyl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The canonical SMILES for 2-(2-phenyl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine is FC(F)(F)c1ccc(-c2cc(C(F)(F)F)nc(-c3ccnc(-c4ccccc4)c3)n2)cn1.
What is the InChIKey of 2-(2-phenyl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The InChIKey is ZEJZSXAXGYQBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F6N4/c23-21(24,25)18-7-6-15(12-30-18)17-11-19(22(26,27)28)32-20(31-17)14-8-9-29-16(10-14)13-4-2-1-3-5-13/h1-12H.
What are the key properties of 2-(2-phenyl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
2-(2-phenyl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine has a molecular weight of 446.35 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine is sourced from PubChem (CID 141215419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).