4,5-dipyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine

C20H12F3N5 — CID 3434059

IUPAC4,5-dipyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2ncc(-c3ccncc3)c(-c3ccncc3)n2)cn1
InChIInChI=1S/C20H12F3N5/c21-20(22,23)17-2-1-15(11-26-17)19-27-12-16(13-3-7-24-8-4-13)18(28-19)14-5-9-25-10-6-14/h1-12H
InChIKeyMAEXWHCHNWDENL-UHFFFAOYSA-N
MW379.35 g/mol
LogP4.68
Rot. Bonds3

About 4,5-dipyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine

4,5-dipyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine (PubChem CID 3434059) has the molecular formula C20H12F3N5 and a molecular weight of 379.35 g/mol. Its IUPAC name is 4,5-dipyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name4,5-dipyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
PubChem CID3434059
Molecular FormulaC20H12F3N5
Molecular Weight379.35 g/mol
Exact Mass379.10
IUPAC Name4,5-dipyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2ncc(-c3ccncc3)c(-c3ccncc3)n2)cn1
InChIInChI=1S/C20H12F3N5/c21-20(22,23)17-2-1-15(11-26-17)19-27-12-16(13-3-7-24-8-4-13)18(28-19)14-5-9-25-10-6-14/h1-12H
InChIKeyMAEXWHCHNWDENL-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 4,5-dipyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The IUPAC name of 4,5-dipyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine (CID 3434059) is 4,5-dipyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine.
What is the SMILES notation for 4,5-dipyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The canonical SMILES for 4,5-dipyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine is FC(F)(F)c1ccc(-c2ncc(-c3ccncc3)c(-c3ccncc3)n2)cn1.
What is the InChIKey of 4,5-dipyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The InChIKey is MAEXWHCHNWDENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N5/c21-20(22,23)17-2-1-15(11-26-17)19-27-12-16(13-3-7-24-8-4-13)18(28-19)14-5-9-25-10-6-14/h1-12H.
What are the key properties of 4,5-dipyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
4,5-dipyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]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 4,5-dipyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine is sourced from PubChem (CID 3434059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).