[[4-amino-6-(trifluoromethyl)-3-pyridinyl]-methylamino]-[(2-methylpropan-2-yl)oxy]methanol

C12H18F3N3O2 — CID 146199232

IUPAC[[4-amino-6-(trifluoromethyl)-3-pyridinyl]-methylamino]-[(2-methylpropan-2-yl)oxy]methanol
SMILESCN(c1cnc(C(F)(F)F)cc1N)C(O)OC(C)(C)C
InChIInChI=1S/C12H18F3N3O2/c1-11(2,3)20-10(19)18(4)8-6-17-9(5-7(8)16)12(13,14)15/h5-6,10,19H,1-4H3,(H2,16,17)
InChIKeyXOJGNBDUZMMEMX-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.21
Rot. Bonds3

About [[4-amino-6-(trifluoromethyl)-3-pyridinyl]-methylamino]-[(2-methylpropan-2-yl)oxy]methanol

[[4-amino-6-(trifluoromethyl)-3-pyridinyl]-methylamino]-[(2-methylpropan-2-yl)oxy]methanol (PubChem CID 146199232) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is [[4-amino-6-(trifluoromethyl)-3-pyridinyl]-methylamino]-[(2-methylpropan-2-yl)oxy]methanol.

Molecular Properties

Compound Name[[4-amino-6-(trifluoromethyl)-3-pyridinyl]-methylamino]-[(2-methylpropan-2-yl)oxy]methanol
PubChem CID146199232
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name[[4-amino-6-(trifluoromethyl)-3-pyridinyl]-methylamino]-[(2-methylpropan-2-yl)oxy]methanol
SMILESCN(c1cnc(C(F)(F)F)cc1N)C(O)OC(C)(C)C
InChIInChI=1S/C12H18F3N3O2/c1-11(2,3)20-10(19)18(4)8-6-17-9(5-7(8)16)12(13,14)15/h5-6,10,19H,1-4H3,(H2,16,17)
InChIKeyXOJGNBDUZMMEMX-UHFFFAOYSA-N
XLogP2.21
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[4-amino-6-(trifluoromethyl)-3-pyridinyl]-methylamino]-[(2-methylpropan-2-yl)oxy]methanol?
The IUPAC name of [[4-amino-6-(trifluoromethyl)-3-pyridinyl]-methylamino]-[(2-methylpropan-2-yl)oxy]methanol (CID 146199232) is [[4-amino-6-(trifluoromethyl)-3-pyridinyl]-methylamino]-[(2-methylpropan-2-yl)oxy]methanol.
What is the SMILES notation for [[4-amino-6-(trifluoromethyl)-3-pyridinyl]-methylamino]-[(2-methylpropan-2-yl)oxy]methanol?
The canonical SMILES for [[4-amino-6-(trifluoromethyl)-3-pyridinyl]-methylamino]-[(2-methylpropan-2-yl)oxy]methanol is CN(c1cnc(C(F)(F)F)cc1N)C(O)OC(C)(C)C.
What is the InChIKey of [[4-amino-6-(trifluoromethyl)-3-pyridinyl]-methylamino]-[(2-methylpropan-2-yl)oxy]methanol?
The InChIKey is XOJGNBDUZMMEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-11(2,3)20-10(19)18(4)8-6-17-9(5-7(8)16)12(13,14)15/h5-6,10,19H,1-4H3,(H2,16,17).
What are the key properties of [[4-amino-6-(trifluoromethyl)-3-pyridinyl]-methylamino]-[(2-methylpropan-2-yl)oxy]methanol?
[[4-amino-6-(trifluoromethyl)-3-pyridinyl]-methylamino]-[(2-methylpropan-2-yl)oxy]methanol has a molecular weight of 293.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-amino-6-(trifluoromethyl)-3-pyridinyl]-methylamino]-[(2-methylpropan-2-yl)oxy]methanol is sourced from PubChem (CID 146199232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).