ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate

C27H50N8O2 — CID 14746207

IUPACethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(N(C)C2CC(C)(C)NC(C)(C)C2)nc(N(C)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C27H50N8O2/c1-12-37-20(36)17-28-21-29-22(34(10)18-13-24(2,3)32-25(4,5)14-18)31-23(30-21)35(11)19-15-26(6,7)33-27(8,9)16-19/h18-19,32-33H,12-17H2,1-11H3,(H,28,29,30,31)
InChIKeyMRQVUKAALOUPQV-UHFFFAOYSA-N
MW518.75 g/mol
LogP3.34
Rot. Bonds8

About ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate

ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate (PubChem CID 14746207) has the molecular formula C27H50N8O2 and a molecular weight of 518.75 g/mol. Its IUPAC name is ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
PubChem CID14746207
Molecular FormulaC27H50N8O2
Molecular Weight518.75 g/mol
Exact Mass518.41
IUPAC Nameethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(N(C)C2CC(C)(C)NC(C)(C)C2)nc(N(C)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C27H50N8O2/c1-12-37-20(36)17-28-21-29-22(34(10)18-13-24(2,3)32-25(4,5)14-18)31-23(30-21)35(11)19-15-26(6,7)33-27(8,9)16-19/h18-19,32-33H,12-17H2,1-11H3,(H,28,29,30,31)
InChIKeyMRQVUKAALOUPQV-UHFFFAOYSA-N
XLogP3.34
TPSA107.54 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.75
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate?
The IUPAC name of ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate (CID 14746207) is ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate is CCOC(=O)CNc1nc(N(C)C2CC(C)(C)NC(C)(C)C2)nc(N(C)C2CC(C)(C)NC(C)(C)C2)n1.
What is the InChIKey of ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate?
The InChIKey is MRQVUKAALOUPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50N8O2/c1-12-37-20(36)17-28-21-29-22(34(10)18-13-24(2,3)32-25(4,5)14-18)31-23(30-21)35(11)19-15-26(6,7)33-27(8,9)16-19/h18-19,32-33H,12-17H2,1-11H3,(H,28,29,30,31).
What are the key properties of ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate?
ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate has a molecular weight of 518.75 g/mol, XLogP of 3.34, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate is sourced from PubChem (CID 14746207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).