2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol

C19H18F6N8O — CID 158554640

IUPAC2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol
SMILESCC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(Nc2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C19H18F6N8O/c1-17(2,34)9-27-14-31-15(28-10-6-7-26-12(8-10)19(23,24)25)33-16(32-14)30-13-5-3-4-11(29-13)18(20,21)22/h3-8,34H,9H2,1-2H3,(H3,26,27,28,29,30,31,32,33)
InChIKeyHQDFXFHDLLSKRX-UHFFFAOYSA-N
MW488.40 g/mol
LogP4.37
Rot. Bonds7

About 2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol

2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol (PubChem CID 158554640) has the molecular formula C19H18F6N8O and a molecular weight of 488.40 g/mol. Its IUPAC name is 2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol
PubChem CID158554640
Molecular FormulaC19H18F6N8O
Molecular Weight488.40 g/mol
Exact Mass488.15
IUPAC Name2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol
SMILESCC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(Nc2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C19H18F6N8O/c1-17(2,34)9-27-14-31-15(28-10-6-7-26-12(8-10)19(23,24)25)33-16(32-14)30-13-5-3-4-11(29-13)18(20,21)22/h3-8,34H,9H2,1-2H3,(H3,26,27,28,29,30,31,32,33)
InChIKeyHQDFXFHDLLSKRX-UHFFFAOYSA-N
XLogP4.37
TPSA120.77 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.40
LogP ≤ 54.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol (CID 158554640) is 2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol is CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(Nc2cccc(C(F)(F)F)n2)n1.
What is the InChIKey of 2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol?
The InChIKey is HQDFXFHDLLSKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6N8O/c1-17(2,34)9-27-14-31-15(28-10-6-7-26-12(8-10)19(23,24)25)33-16(32-14)30-13-5-3-4-11(29-13)18(20,21)22/h3-8,34H,9H2,1-2H3,(H3,26,27,28,29,30,31,32,33).
What are the key properties of 2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol?
2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol has a molecular weight of 488.40 g/mol, XLogP of 4.37, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol is sourced from PubChem (CID 158554640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).