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

C25H17F6N3 — CID 57468863

IUPAC2-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1cc(-c2cccc(-c3nc(-c4ccc(C(F)(F)F)cc4)cc(C(F)(F)F)n3)c2)cc(C)n1
InChIInChI=1S/C25H17F6N3/c1-14-10-19(11-15(2)32-14)17-4-3-5-18(12-17)23-33-21(13-22(34-23)25(29,30)31)16-6-8-20(9-7-16)24(26,27)28/h3-13H,1-2H3
InChIKeyUTZMRRRZFDOYFQ-UHFFFAOYSA-N
MW473.42 g/mol
LogP7.53
Rot. Bonds3

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

2-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 57468863) has the molecular formula C25H17F6N3 and a molecular weight of 473.42 g/mol. Its IUPAC name is 2-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
PubChem CID57468863
Molecular FormulaC25H17F6N3
Molecular Weight473.42 g/mol
Exact Mass473.13
IUPAC Name2-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1cc(-c2cccc(-c3nc(-c4ccc(C(F)(F)F)cc4)cc(C(F)(F)F)n3)c2)cc(C)n1
InChIInChI=1S/C25H17F6N3/c1-14-10-19(11-15(2)32-14)17-4-3-5-18(12-17)23-33-21(13-22(34-23)25(29,30)31)16-6-8-20(9-7-16)24(26,27)28/h3-13H,1-2H3
InChIKeyUTZMRRRZFDOYFQ-UHFFFAOYSA-N
XLogP7.53
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.42
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 2-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine (CID 57468863) is 2-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 2-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 2-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine is Cc1cc(-c2cccc(-c3nc(-c4ccc(C(F)(F)F)cc4)cc(C(F)(F)F)n3)c2)cc(C)n1.
What is the InChIKey of 2-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is UTZMRRRZFDOYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F6N3/c1-14-10-19(11-15(2)32-14)17-4-3-5-18(12-17)23-33-21(13-22(34-23)25(29,30)31)16-6-8-20(9-7-16)24(26,27)28/h3-13H,1-2H3.
What are the key properties of 2-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine?
2-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 473.42 g/mol, XLogP of 7.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 57468863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).