2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C30H57N9 — CID 15883572

IUPAC2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCC1(C)CC(Nc2nc(NC3CC(C)(C)NC(C)(C)C3)nc(NC3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1
InChIInChI=1S/C30H57N9/c1-25(2)13-19(14-26(3,4)37-25)31-22-34-23(32-20-15-27(5,6)38-28(7,8)16-20)36-24(35-22)33-21-17-29(9,10)39-30(11,12)18-21/h19-21,37-39H,13-18H2,1-12H3,(H3,31,32,33,34,35,36)
InChIKeyRLXPEQVECSTYJT-UHFFFAOYSA-N
MW543.85 g/mol
LogP5.03
Rot. Bonds6

About 2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 15883572) has the molecular formula C30H57N9 and a molecular weight of 543.85 g/mol. Its IUPAC name is 2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID15883572
Molecular FormulaC30H57N9
Molecular Weight543.85 g/mol
Exact Mass543.47
IUPAC Name2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCC1(C)CC(Nc2nc(NC3CC(C)(C)NC(C)(C)C3)nc(NC3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1
InChIInChI=1S/C30H57N9/c1-25(2)13-19(14-26(3,4)37-25)31-22-34-23(32-20-15-27(5,6)38-28(7,8)16-20)36-24(35-22)33-21-17-29(9,10)39-30(11,12)18-21/h19-21,37-39H,13-18H2,1-12H3,(H3,31,32,33,34,35,36)
InChIKeyRLXPEQVECSTYJT-UHFFFAOYSA-N
XLogP5.03
TPSA110.85 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500543.85
LogP ≤ 55.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 15883572) is 2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CC1(C)CC(Nc2nc(NC3CC(C)(C)NC(C)(C)C3)nc(NC3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1.
What is the InChIKey of 2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is RLXPEQVECSTYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H57N9/c1-25(2)13-19(14-26(3,4)37-25)31-22-34-23(32-20-15-27(5,6)38-28(7,8)16-20)36-24(35-22)33-21-17-29(9,10)39-30(11,12)18-21/h19-21,37-39H,13-18H2,1-12H3,(H3,31,32,33,34,35,36).
What are the key properties of 2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 543.85 g/mol, XLogP of 5.03, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 15883572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).