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

C18H16F6N8O — CID 86690576

IUPAC2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]propan-2-ol
SMILESCC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2nccc(C(F)(F)F)n2)n1
InChIInChI=1S/C18H16F6N8O/c1-16(2,33)8-27-14-30-13(12-26-6-4-10(29-12)17(19,20)21)31-15(32-14)28-9-3-5-25-11(7-9)18(22,23)24/h3-7,33H,8H2,1-2H3,(H2,25,27,28,30,31,32)
InChIKeyYCWRAMAKOPDLPP-UHFFFAOYSA-N
MW474.37 g/mol
LogP3.69
Rot. Bonds6

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

2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]propan-2-ol (PubChem CID 86690576) has the molecular formula C18H16F6N8O and a molecular weight of 474.37 g/mol. Its IUPAC name is 2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]propan-2-ol
PubChem CID86690576
Molecular FormulaC18H16F6N8O
Molecular Weight474.37 g/mol
Exact Mass474.14
IUPAC Name2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]propan-2-ol
SMILESCC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2nccc(C(F)(F)F)n2)n1
InChIInChI=1S/C18H16F6N8O/c1-16(2,33)8-27-14-30-13(12-26-6-4-10(29-12)17(19,20)21)31-15(32-14)28-9-3-5-25-11(7-9)18(22,23)24/h3-7,33H,8H2,1-2H3,(H2,25,27,28,30,31,32)
InChIKeyYCWRAMAKOPDLPP-UHFFFAOYSA-N
XLogP3.69
TPSA121.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.37
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-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-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]propan-2-ol (CID 86690576) is 2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-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-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]propan-2-ol is CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2nccc(C(F)(F)F)n2)n1.
What is the InChIKey of 2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]propan-2-ol?
The InChIKey is YCWRAMAKOPDLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N8O/c1-16(2,33)8-27-14-30-13(12-26-6-4-10(29-12)17(19,20)21)31-15(32-14)28-9-3-5-25-11(7-9)18(22,23)24/h3-7,33H,8H2,1-2H3,(H2,25,27,28,30,31,32).
What are the key properties of 2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]propan-2-ol?
2-methyl-1-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]propan-2-ol has a molecular weight of 474.37 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 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-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]propan-2-ol is sourced from PubChem (CID 86690576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).