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

C16H30N8O3 — CID 118337235

IUPAC2-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
SMILESCNCCOCCOc1nc(N(C)CC(N)=O)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C16H30N8O3/c1-18-4-9-26-10-11-27-16-20-14(23(3)12-13(17)25)19-15(21-16)24-7-5-22(2)6-8-24/h18H,4-12H2,1-3H3,(H2,17,25)
InChIKeyUCMFKPJWEMFUDR-UHFFFAOYSA-N
MW382.47 g/mol
LogP-1.84
Rot. Bonds11

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

2-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide (PubChem CID 118337235) has the molecular formula C16H30N8O3 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
PubChem CID118337235
Molecular FormulaC16H30N8O3
Molecular Weight382.47 g/mol
Exact Mass382.24
IUPAC Name2-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
SMILESCNCCOCCOc1nc(N(C)CC(N)=O)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C16H30N8O3/c1-18-4-9-26-10-11-27-16-20-14(23(3)12-13(17)25)19-15(21-16)24-7-5-22(2)6-8-24/h18H,4-12H2,1-3H3,(H2,17,25)
InChIKeyUCMFKPJWEMFUDR-UHFFFAOYSA-N
XLogP-1.84
TPSA121.97 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 5-1.84
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-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
The IUPAC name of 2-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide (CID 118337235) is 2-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-(4-methylpiperazin-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-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
The canonical SMILES for 2-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide is CNCCOCCOc1nc(N(C)CC(N)=O)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 2-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
The InChIKey is UCMFKPJWEMFUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N8O3/c1-18-4-9-26-10-11-27-16-20-14(23(3)12-13(17)25)19-15(21-16)24-7-5-22(2)6-8-24/h18H,4-12H2,1-3H3,(H2,17,25).
What are the key properties of 2-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
2-[methyl-[4-[2-[2-(methylamino)ethoxy]ethoxy]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide has a molecular weight of 382.47 g/mol, XLogP of -1.84, 11 rotatable bonds, 2 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-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide is sourced from PubChem (CID 118337235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).