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

C21H13F3N4 — CID 3383702

IUPAC4-phenyl-5-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2ncc(-c3ccncc3)c(-c3ccccc3)n2)cn1
InChIInChI=1S/C21H13F3N4/c22-21(23,24)18-7-6-16(12-26-18)20-27-13-17(14-8-10-25-11-9-14)19(28-20)15-4-2-1-3-5-15/h1-13H
InChIKeyMGMGTVKNWGGVQD-UHFFFAOYSA-N
MW378.36 g/mol
LogP5.29
Rot. Bonds3

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

4-phenyl-5-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine (PubChem CID 3383702) has the molecular formula C21H13F3N4 and a molecular weight of 378.36 g/mol. Its IUPAC name is 4-phenyl-5-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name4-phenyl-5-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
PubChem CID3383702
Molecular FormulaC21H13F3N4
Molecular Weight378.36 g/mol
Exact Mass378.11
IUPAC Name4-phenyl-5-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2ncc(-c3ccncc3)c(-c3ccccc3)n2)cn1
InChIInChI=1S/C21H13F3N4/c22-21(23,24)18-7-6-16(12-26-18)20-27-13-17(14-8-10-25-11-9-14)19(28-20)15-4-2-1-3-5-15/h1-13H
InChIKeyMGMGTVKNWGGVQD-UHFFFAOYSA-N
XLogP5.29
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.36
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The IUPAC name of 4-phenyl-5-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine (CID 3383702) is 4-phenyl-5-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine.
What is the SMILES notation for 4-phenyl-5-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The canonical SMILES for 4-phenyl-5-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine is FC(F)(F)c1ccc(-c2ncc(-c3ccncc3)c(-c3ccccc3)n2)cn1.
What is the InChIKey of 4-phenyl-5-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The InChIKey is MGMGTVKNWGGVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N4/c22-21(23,24)18-7-6-16(12-26-18)20-27-13-17(14-8-10-25-11-9-14)19(28-20)15-4-2-1-3-5-15/h1-13H.
What are the key properties of 4-phenyl-5-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
4-phenyl-5-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine has a molecular weight of 378.36 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine is sourced from PubChem (CID 3383702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).