2-(pyridin-4-ylmethyl)-4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine

C18H12F6N4O — CID 87237426

IUPAC2-(pyridin-4-ylmethyl)-4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine
SMILESFC(F)(F)COc1nc(Cc2ccncc2)nc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H12F6N4O/c19-17(20,21)10-29-16-27-14(8-11-4-6-25-7-5-11)26-15(28-16)12-2-1-3-13(9-12)18(22,23)24/h1-7,9H,8,10H2
InChIKeyHGUKYDNGMFVHLU-UHFFFAOYSA-N
MW414.31 g/mol
LogP4.48
Rot. Bonds5

About 2-(pyridin-4-ylmethyl)-4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine

2-(pyridin-4-ylmethyl)-4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine (PubChem CID 87237426) has the molecular formula C18H12F6N4O and a molecular weight of 414.31 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethyl)-4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(pyridin-4-ylmethyl)-4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine
PubChem CID87237426
Molecular FormulaC18H12F6N4O
Molecular Weight414.31 g/mol
Exact Mass414.09
IUPAC Name2-(pyridin-4-ylmethyl)-4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine
SMILESFC(F)(F)COc1nc(Cc2ccncc2)nc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H12F6N4O/c19-17(20,21)10-29-16-27-14(8-11-4-6-25-7-5-11)26-15(28-16)12-2-1-3-13(9-12)18(22,23)24/h1-7,9H,8,10H2
InChIKeyHGUKYDNGMFVHLU-UHFFFAOYSA-N
XLogP4.48
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 87237269
ethyl 4-[3-[4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]benzoyl]piperazine-1-carboxylate
CID 58040230
1-[4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]pyrrolidin-3-one
CID 58039879
2-[2-(1H-inden-5-yl)ethyl]-4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 58040309
2-[(4-fluorophenyl)methyl]-4-[(4-piperidin-1-ylphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine
CID 67016120
N-piperidin-4-yl-4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58039451
2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 58039427
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
4-(4-phenoxyphenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 58040449
4-propan-2-yl-N-[3-[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]phenyl]benzamide
CID 87237352
3-cyano-N-[3-[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]phenyl]benzamide
CID 87237333
4-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 55114299

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethyl)-4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(pyridin-4-ylmethyl)-4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine (CID 87237426) is 2-(pyridin-4-ylmethyl)-4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(pyridin-4-ylmethyl)-4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(pyridin-4-ylmethyl)-4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine is FC(F)(F)COc1nc(Cc2ccncc2)nc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-(pyridin-4-ylmethyl)-4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine?
The InChIKey is HGUKYDNGMFVHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F6N4O/c19-17(20,21)10-29-16-27-14(8-11-4-6-25-7-5-11)26-15(28-16)12-2-1-3-13(9-12)18(22,23)24/h1-7,9H,8,10H2.
What are the key properties of 2-(pyridin-4-ylmethyl)-4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine?
2-(pyridin-4-ylmethyl)-4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine has a molecular weight of 414.31 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethyl)-4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 87237426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).