2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide

C17H32N8O3 — CID 58361488

IUPAC2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide
SMILESCC(C)N1CCN(c2nc(OCCOCCN)nc(N(C)CC(N)=O)n2)CC1
InChIInChI=1S/C17H32N8O3/c1-13(2)24-5-7-25(8-6-24)16-20-15(23(3)12-14(19)26)21-17(22-16)28-11-10-27-9-4-18/h13H,4-12,18H2,1-3H3,(H2,19,26)
InChIKeyLLONAGGUBCLEMJ-UHFFFAOYSA-N
MW396.50 g/mol
LogP-1.32
Rot. Bonds11

About 2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide

2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide (PubChem CID 58361488) has the molecular formula C17H32N8O3 and a molecular weight of 396.50 g/mol. Its IUPAC name is 2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide
PubChem CID58361488
Molecular FormulaC17H32N8O3
Molecular Weight396.50 g/mol
Exact Mass396.26
IUPAC Name2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide
SMILESCC(C)N1CCN(c2nc(OCCOCCN)nc(N(C)CC(N)=O)n2)CC1
InChIInChI=1S/C17H32N8O3/c1-13(2)24-5-7-25(8-6-24)16-20-15(23(3)12-14(19)26)21-17(22-16)28-11-10-27-9-4-18/h13H,4-12,18H2,1-3H3,(H2,19,26)
InChIKeyLLONAGGUBCLEMJ-UHFFFAOYSA-N
XLogP-1.32
TPSA135.96 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide?
The IUPAC name of 2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide (CID 58361488) is 2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide.
What is the SMILES notation for 2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide?
The canonical SMILES for 2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide is CC(C)N1CCN(c2nc(OCCOCCN)nc(N(C)CC(N)=O)n2)CC1.
What is the InChIKey of 2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide?
The InChIKey is LLONAGGUBCLEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N8O3/c1-13(2)24-5-7-25(8-6-24)16-20-15(23(3)12-14(19)26)21-17(22-16)28-11-10-27-9-4-18/h13H,4-12,18H2,1-3H3,(H2,19,26).
What are the key properties of 2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide?
2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide has a molecular weight of 396.50 g/mol, XLogP of -1.32, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide is sourced from PubChem (CID 58361488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).