2-pyridin-2-yl-5-pyrimidin-4-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine

C20H12F3N5 — CID 3590590

IUPAC2-pyridin-2-yl-5-pyrimidin-4-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2nc(-c3ccccn3)ncc2-c2ccncn2)cc1
InChIInChI=1S/C20H12F3N5/c21-20(22,23)14-6-4-13(5-7-14)18-15(16-8-10-24-12-27-16)11-26-19(28-18)17-3-1-2-9-25-17/h1-12H
InChIKeyROPPQTIEXIBCFZ-UHFFFAOYSA-N
MW379.35 g/mol
LogP4.68
Rot. Bonds3

About 2-pyridin-2-yl-5-pyrimidin-4-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine

2-pyridin-2-yl-5-pyrimidin-4-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 3590590) has the molecular formula C20H12F3N5 and a molecular weight of 379.35 g/mol. Its IUPAC name is 2-pyridin-2-yl-5-pyrimidin-4-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-pyridin-2-yl-5-pyrimidin-4-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine
PubChem CID3590590
Molecular FormulaC20H12F3N5
Molecular Weight379.35 g/mol
Exact Mass379.10
IUPAC Name2-pyridin-2-yl-5-pyrimidin-4-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2nc(-c3ccccn3)ncc2-c2ccncn2)cc1
InChIInChI=1S/C20H12F3N5/c21-20(22,23)14-6-4-13(5-7-14)18-15(16-8-10-24-12-27-16)11-26-19(28-18)17-3-1-2-9-25-17/h1-12H
InChIKeyROPPQTIEXIBCFZ-UHFFFAOYSA-N
XLogP4.68
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-5-pyrimidin-4-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 2-pyridin-2-yl-5-pyrimidin-4-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine (CID 3590590) is 2-pyridin-2-yl-5-pyrimidin-4-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 2-pyridin-2-yl-5-pyrimidin-4-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 2-pyridin-2-yl-5-pyrimidin-4-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine is FC(F)(F)c1ccc(-c2nc(-c3ccccn3)ncc2-c2ccncn2)cc1.
What is the InChIKey of 2-pyridin-2-yl-5-pyrimidin-4-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is ROPPQTIEXIBCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N5/c21-20(22,23)14-6-4-13(5-7-14)18-15(16-8-10-24-12-27-16)11-26-19(28-18)17-3-1-2-9-25-17/h1-12H.
What are the key properties of 2-pyridin-2-yl-5-pyrimidin-4-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine?
2-pyridin-2-yl-5-pyrimidin-4-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 379.35 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-5-pyrimidin-4-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 3590590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).