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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Related Compounds

Azd-3839
CID 46202416
2,4,6-Tris(2'-pyridyl)-1,3,5-triazine
CID 77258
Tt-301
CID 54576073
Jnj-38893777
CID 16742146
2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52949700
Pik-iii
CID 67983123
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
N-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 921541
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
3-Phenyl-4-(Pyridin-4-Yl)-6-[4-(Pyrimidin-2-Yl)piperazin-1-Yl]pyridazine
CID 24743826
(1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine
CID 46206292
6-(2-Fluoropyridin-4-Yl)pyrido[3,2-D]pyrimidin-4-Amine
CID 72703518

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).