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

C19H16F6N6O — CID 122206458

IUPAC1-[[4,6-bis[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1nc(-c2cccc(C(F)(F)F)n2)nc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C19H16F6N6O/c1-17(2,32)9-26-16-30-14(10-5-3-7-12(27-10)18(20,21)22)29-15(31-16)11-6-4-8-13(28-11)19(23,24)25/h3-8,32H,9H2,1-2H3,(H,26,29,30,31)
InChIKeyRSFDSTZMMJVPSW-UHFFFAOYSA-N
MW458.37 g/mol
LogP4.22
Rot. Bonds5

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

1-[[4,6-bis[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol (PubChem CID 122206458) has the molecular formula C19H16F6N6O and a molecular weight of 458.37 g/mol. Its IUPAC name is 1-[[4,6-bis[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[4,6-bis[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
PubChem CID122206458
Molecular FormulaC19H16F6N6O
Molecular Weight458.37 g/mol
Exact Mass458.13
IUPAC Name1-[[4,6-bis[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1nc(-c2cccc(C(F)(F)F)n2)nc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C19H16F6N6O/c1-17(2,32)9-26-16-30-14(10-5-3-7-12(27-10)18(20,21)22)29-15(31-16)11-6-4-8-13(28-11)19(23,24)25/h3-8,32H,9H2,1-2H3,(H,26,29,30,31)
InChIKeyRSFDSTZMMJVPSW-UHFFFAOYSA-N
XLogP4.22
TPSA96.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.37
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[4,6-bis[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[4,6-bis[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol (CID 122206458) is 1-[[4,6-bis[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[4,6-bis[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[4,6-bis[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol is CC(C)(O)CNc1nc(-c2cccc(C(F)(F)F)n2)nc(-c2cccc(C(F)(F)F)n2)n1.
What is the InChIKey of 1-[[4,6-bis[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol?
The InChIKey is RSFDSTZMMJVPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N6O/c1-17(2,32)9-26-16-30-14(10-5-3-7-12(27-10)18(20,21)22)29-15(31-16)11-6-4-8-13(28-11)19(23,24)25/h3-8,32H,9H2,1-2H3,(H,26,29,30,31).
What are the key properties of 1-[[4,6-bis[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol?
1-[[4,6-bis[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol has a molecular weight of 458.37 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4,6-bis[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 122206458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).