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

C19H17F6N7O — CID 121453832

IUPAC1,1,1,3,3,3-hexadeuterio-2-[[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]methyl]propan-2-ol
SMILES[2H]C([2H])([2H])C(O)(CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1)C([2H])([2H])[2H]
InChIInChI=1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32)/i1D3,2D3
InChIKeyDYLUUSLLRIQKOE-WFGJKAKNSA-N
MW479.42 g/mol
LogP4.29
Rot. Bonds8

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

1,1,1,3,3,3-hexadeuterio-2-[[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]methyl]propan-2-ol (PubChem CID 121453832) has the molecular formula C19H17F6N7O and a molecular weight of 479.42 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexadeuterio-2-[[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]methyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexadeuterio-2-[[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]methyl]propan-2-ol
PubChem CID121453832
Molecular FormulaC19H17F6N7O
Molecular Weight479.42 g/mol
Exact Mass479.18
IUPAC Name1,1,1,3,3,3-hexadeuterio-2-[[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]methyl]propan-2-ol
SMILES[2H]C([2H])([2H])C(O)(CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1)C([2H])([2H])[2H]
InChIInChI=1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32)/i1D3,2D3
InChIKeyDYLUUSLLRIQKOE-WFGJKAKNSA-N
XLogP4.29
TPSA108.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.42
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexadeuterio-2-[[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]methyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexadeuterio-2-[[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]methyl]propan-2-ol (CID 121453832) is 1,1,1,3,3,3-hexadeuterio-2-[[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]methyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexadeuterio-2-[[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]methyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexadeuterio-2-[[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]methyl]propan-2-ol is [2H]C([2H])([2H])C(O)(CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1)C([2H])([2H])[2H].
What is the InChIKey of 1,1,1,3,3,3-hexadeuterio-2-[[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]methyl]propan-2-ol?
The InChIKey is DYLUUSLLRIQKOE-WFGJKAKNSA-N. The full InChI is InChI=1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32)/i1D3,2D3.
What are the key properties of 1,1,1,3,3,3-hexadeuterio-2-[[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]methyl]propan-2-ol?
1,1,1,3,3,3-hexadeuterio-2-[[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]methyl]propan-2-ol has a molecular weight of 479.42 g/mol, XLogP of 4.29, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexadeuterio-2-[[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]methyl]propan-2-ol is sourced from PubChem (CID 121453832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).