2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline

C24H12F6N6 — CID 3693924

IUPAC2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline
SMILESFC(F)(F)c1ccc(-c2ncc(-c3cnc4ccccc4n3)c(-c3ccc(C(F)(F)F)nc3)n2)cn1
InChIInChI=1S/C24H12F6N6/c25-23(26,27)19-7-5-13(9-32-19)21-15(18-12-31-16-3-1-2-4-17(16)35-18)11-34-22(36-21)14-6-8-20(33-10-14)24(28,29)30/h1-12H
InChIKeyCVBOAHMCFCBHMW-UHFFFAOYSA-N
MW498.39 g/mol
LogP6.25
Rot. Bonds3

About 2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline

2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline (PubChem CID 3693924) has the molecular formula C24H12F6N6 and a molecular weight of 498.39 g/mol. Its IUPAC name is 2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline.

Molecular Properties

Compound Name2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline
PubChem CID3693924
Molecular FormulaC24H12F6N6
Molecular Weight498.39 g/mol
Exact Mass498.10
IUPAC Name2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline
SMILESFC(F)(F)c1ccc(-c2ncc(-c3cnc4ccccc4n3)c(-c3ccc(C(F)(F)F)nc3)n2)cn1
InChIInChI=1S/C24H12F6N6/c25-23(26,27)19-7-5-13(9-32-19)21-15(18-12-31-16-3-1-2-4-17(16)35-18)11-34-22(36-21)14-6-8-20(33-10-14)24(28,29)30/h1-12H
InChIKeyCVBOAHMCFCBHMW-UHFFFAOYSA-N
XLogP6.25
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.39
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[N-(2,4-Diaminopteridin-6-YL)-methyl]-dibenz[B,F]azepine
CID 446744
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
2,3-Diphenylpyrido[2,3-b]pyrazine
CID 817566
4-Pteridinamine, 7-(4-(dimethylamino)phenyl)-
CID 3056069
N-benzylpyrido[3,2-d]pyrimidin-4-amine
CID 5328272
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6b
CID 5328345
6-N-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328374
7-[6-(Dimethylamino)pyridin-3-Yl]-~{n}-[[(3~{s})-Piperidin-3-Yl]methyl]pyrido[3,4-B]pyrazin-5-Amine
CID 66555698
6-(2-Fluoropyridin-4-Yl)pyrido[3,2-D]pyrimidin-4-Amine
CID 72703518
6-(3-Fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 86703914
3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine
CID 118310209
US11420970, Example 198
CID 156073186

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline?
The IUPAC name of 2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline (CID 3693924) is 2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline.
What is the SMILES notation for 2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline?
The canonical SMILES for 2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline is FC(F)(F)c1ccc(-c2ncc(-c3cnc4ccccc4n3)c(-c3ccc(C(F)(F)F)nc3)n2)cn1.
What is the InChIKey of 2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline?
The InChIKey is CVBOAHMCFCBHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12F6N6/c25-23(26,27)19-7-5-13(9-32-19)21-15(18-12-31-16-3-1-2-4-17(16)35-18)11-34-22(36-21)14-6-8-20(33-10-14)24(28,29)30/h1-12H.
What are the key properties of 2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline?
2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline has a molecular weight of 498.39 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline is sourced from PubChem (CID 3693924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).