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

C19H36N8O3 — CID 135280888

IUPAC2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-pentan-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide
SMILESCCC(CC)N1CCN(c2nc(OCCOCCN)nc(N(C)CC(N)=O)n2)CC1
InChIInChI=1S/C19H36N8O3/c1-4-15(5-2)26-7-9-27(10-8-26)18-22-17(25(3)14-16(21)28)23-19(24-18)30-13-12-29-11-6-20/h15H,4-14,20H2,1-3H3,(H2,21,28)
InChIKeyDPRMDZBQJBFZCE-UHFFFAOYSA-N
MW424.55 g/mol
LogP-0.54
Rot. Bonds13

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

2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-pentan-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide (PubChem CID 135280888) has the molecular formula C19H36N8O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-pentan-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-pentan-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide
PubChem CID135280888
Molecular FormulaC19H36N8O3
Molecular Weight424.55 g/mol
Exact Mass424.29
IUPAC Name2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-pentan-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide
SMILESCCC(CC)N1CCN(c2nc(OCCOCCN)nc(N(C)CC(N)=O)n2)CC1
InChIInChI=1S/C19H36N8O3/c1-4-15(5-2)26-7-9-27(10-8-26)18-22-17(25(3)14-16(21)28)23-19(24-18)30-13-12-29-11-6-20/h15H,4-14,20H2,1-3H3,(H2,21,28)
InChIKeyDPRMDZBQJBFZCE-UHFFFAOYSA-N
XLogP-0.54
TPSA135.96 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 5-0.54
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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Related Compounds

2-[[4-[2-(2-Aminoethoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide
CID 58361488
2-[[4-[2-(2-Aminoethoxy)ethoxy]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide
CID 68371114
2-[Methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-piperazin-1-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 118336903
2-[Methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
CID 118337235
2-[[4-[2-[2-(Tert-butylamino)ethoxy]ethoxy]-6-(4-tert-butylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide
CID 129311583
2-[[4-[2-(2-Aminoethoxy)ethoxy]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide;1-aminopentan-3-one
CID 145157819
2-[[4-(4-Iodopiperazin-1-yl)-6-[2-[2-(methylamino)ethoxy]ethoxy]-1,3,5-triazin-2-yl]-methylamino]acetamide
CID 156182254
2-[[4-[2-(2-Aminoethoxy)ethoxy]-6-(4-tert-butylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide
CID 156340326
2-[[4-[2-(2-Aminoethoxy)ethoxy]-6-(4-butan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide
CID 156427499
2-[Methyl-[4-[2-(3-methylbutoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
CID 156809039
2-[Methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide;propane
CID 156812729
2-[Methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide
CID 156812730

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-pentan-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide?
The IUPAC name of 2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-pentan-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide (CID 135280888) is 2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-pentan-3-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-pentan-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide?
The canonical SMILES for 2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-pentan-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide is CCC(CC)N1CCN(c2nc(OCCOCCN)nc(N(C)CC(N)=O)n2)CC1.
What is the InChIKey of 2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-pentan-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide?
The InChIKey is DPRMDZBQJBFZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N8O3/c1-4-15(5-2)26-7-9-27(10-8-26)18-22-17(25(3)14-16(21)28)23-19(24-18)30-13-12-29-11-6-20/h15H,4-14,20H2,1-3H3,(H2,21,28).
What are the key properties of 2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-pentan-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide?
2-[[4-[2-(2-aminoethoxy)ethoxy]-6-(4-pentan-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide has a molecular weight of 424.55 g/mol, XLogP of -0.54, 13 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-pentan-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide is sourced from PubChem (CID 135280888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).