2-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-piperazin-1-yl-1,3,5-triazin-2-yl]amino]acetamide

C15H28N8O3 — CID 118336903

IUPAC2-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-piperazin-1-yl-1,3,5-triazin-2-yl]amino]acetamide
SMILESCNCCOCCOc1nc(N(C)CC(N)=O)nc(N2CCNCC2)n1
InChIInChI=1S/C15H28N8O3/c1-17-5-8-25-9-10-26-15-20-13(22(2)11-12(16)24)19-14(21-15)23-6-3-18-4-7-23/h17-18H,3-11H2,1-2H3,(H2,16,24)
InChIKeyNSGYBCVDHJBPDA-UHFFFAOYSA-N
MW368.44 g/mol
LogP-2.18
Rot. Bonds11

About 2-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-piperazin-1-yl-1,3,5-triazin-2-yl]amino]acetamide

2-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-piperazin-1-yl-1,3,5-triazin-2-yl]amino]acetamide (PubChem CID 118336903) has the molecular formula C15H28N8O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-piperazin-1-yl-1,3,5-triazin-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-piperazin-1-yl-1,3,5-triazin-2-yl]amino]acetamide
PubChem CID118336903
Molecular FormulaC15H28N8O3
Molecular Weight368.44 g/mol
Exact Mass368.23
IUPAC Name2-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-piperazin-1-yl-1,3,5-triazin-2-yl]amino]acetamide
SMILESCNCCOCCOc1nc(N(C)CC(N)=O)nc(N2CCNCC2)n1
InChIInChI=1S/C15H28N8O3/c1-17-5-8-25-9-10-26-15-20-13(22(2)11-12(16)24)19-14(21-15)23-6-3-18-4-7-23/h17-18H,3-11H2,1-2H3,(H2,16,24)
InChIKeyNSGYBCVDHJBPDA-UHFFFAOYSA-N
XLogP-2.18
TPSA130.76 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 5-2.18
H-Bond Donors ≤ 53
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-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-piperazin-1-yl-1,3,5-triazin-2-yl]amino]acetamide?
The IUPAC name of 2-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-piperazin-1-yl-1,3,5-triazin-2-yl]amino]acetamide (CID 118336903) is 2-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-piperazin-1-yl-1,3,5-triazin-2-yl]amino]acetamide.
What is the SMILES notation for 2-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-piperazin-1-yl-1,3,5-triazin-2-yl]amino]acetamide?
The canonical SMILES for 2-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-piperazin-1-yl-1,3,5-triazin-2-yl]amino]acetamide is CNCCOCCOc1nc(N(C)CC(N)=O)nc(N2CCNCC2)n1.
What is the InChIKey of 2-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-piperazin-1-yl-1,3,5-triazin-2-yl]amino]acetamide?
The InChIKey is NSGYBCVDHJBPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N8O3/c1-17-5-8-25-9-10-26-15-20-13(22(2)11-12(16)24)19-14(21-15)23-6-3-18-4-7-23/h17-18H,3-11H2,1-2H3,(H2,16,24).
What are the key properties of 2-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-piperazin-1-yl-1,3,5-triazin-2-yl]amino]acetamide?
2-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-piperazin-1-yl-1,3,5-triazin-2-yl]amino]acetamide has a molecular weight of 368.44 g/mol, XLogP of -2.18, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-piperazin-1-yl-1,3,5-triazin-2-yl]amino]acetamide is sourced from PubChem (CID 118336903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).