4-fluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine

C21H37FN6O3 — CID 90952865

IUPAC4-fluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine
SMILESCC1(C)CC(Nc2nc(F)nc(OC3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O
InChIInChI=1S/C21H37FN6O3/c1-18(2)9-13(10-19(3,4)27(18)29)23-16-24-15(22)25-17(26-16)31-14-11-20(5,6)28(30)21(7,8)12-14/h13-14,29-30H,9-12H2,1-8H3,(H,23,24,25,26)
InChIKeyWRSLGTQICNDMSW-UHFFFAOYSA-N
MW440.56 g/mol
LogP3.62
Rot. Bonds4

About 4-fluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine

4-fluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine (PubChem CID 90952865) has the molecular formula C21H37FN6O3 and a molecular weight of 440.56 g/mol. Its IUPAC name is 4-fluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-fluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine
PubChem CID90952865
Molecular FormulaC21H37FN6O3
Molecular Weight440.56 g/mol
Exact Mass440.29
IUPAC Name4-fluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine
SMILESCC1(C)CC(Nc2nc(F)nc(OC3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O
InChIInChI=1S/C21H37FN6O3/c1-18(2)9-13(10-19(3,4)27(18)29)23-16-24-15(22)25-17(26-16)31-14-11-20(5,6)28(30)21(7,8)12-14/h13-14,29-30H,9-12H2,1-8H3,(H,23,24,25,26)
InChIKeyWRSLGTQICNDMSW-UHFFFAOYSA-N
XLogP3.62
TPSA106.87 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-fluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-fluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine (CID 90952865) is 4-fluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-fluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-fluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine is CC1(C)CC(Nc2nc(F)nc(OC3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O.
What is the InChIKey of 4-fluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine?
The InChIKey is WRSLGTQICNDMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37FN6O3/c1-18(2)9-13(10-19(3,4)27(18)29)23-16-24-15(22)25-17(26-16)31-14-11-20(5,6)28(30)21(7,8)12-14/h13-14,29-30H,9-12H2,1-8H3,(H,23,24,25,26).
What are the key properties of 4-fluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine?
4-fluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine has a molecular weight of 440.56 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 90952865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).