5-pyrazin-2-yl-4-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine

C19H11F3N6 — CID 3326858

IUPAC5-pyrazin-2-yl-4-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2ncc(-c3cnccn3)c(-c3ccncc3)n2)cn1
InChIInChI=1S/C19H11F3N6/c20-19(21,22)16-2-1-13(9-26-16)18-27-10-14(15-11-24-7-8-25-15)17(28-18)12-3-5-23-6-4-12/h1-11H
InChIKeyLDMYGLFCUZUYGL-UHFFFAOYSA-N
MW380.33 g/mol
LogP4.08
Rot. Bonds3

About 5-pyrazin-2-yl-4-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine

5-pyrazin-2-yl-4-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine (PubChem CID 3326858) has the molecular formula C19H11F3N6 and a molecular weight of 380.33 g/mol. Its IUPAC name is 5-pyrazin-2-yl-4-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name5-pyrazin-2-yl-4-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
PubChem CID3326858
Molecular FormulaC19H11F3N6
Molecular Weight380.33 g/mol
Exact Mass380.10
IUPAC Name5-pyrazin-2-yl-4-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2ncc(-c3cnccn3)c(-c3ccncc3)n2)cn1
InChIInChI=1S/C19H11F3N6/c20-19(21,22)16-2-1-13(9-26-16)18-27-10-14(15-11-24-7-8-25-15)17(28-18)12-3-5-23-6-4-12/h1-11H
InChIKeyLDMYGLFCUZUYGL-UHFFFAOYSA-N
XLogP4.08
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-pyrazin-2-yl-4-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The IUPAC name of 5-pyrazin-2-yl-4-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine (CID 3326858) is 5-pyrazin-2-yl-4-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine.
What is the SMILES notation for 5-pyrazin-2-yl-4-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The canonical SMILES for 5-pyrazin-2-yl-4-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine is FC(F)(F)c1ccc(-c2ncc(-c3cnccn3)c(-c3ccncc3)n2)cn1.
What is the InChIKey of 5-pyrazin-2-yl-4-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The InChIKey is LDMYGLFCUZUYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N6/c20-19(21,22)16-2-1-13(9-26-16)18-27-10-14(15-11-24-7-8-25-15)17(28-18)12-3-5-23-6-4-12/h1-11H.
What are the key properties of 5-pyrazin-2-yl-4-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
5-pyrazin-2-yl-4-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine has a molecular weight of 380.33 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrazin-2-yl-4-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine is sourced from PubChem (CID 3326858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).