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

C13H23N7O — CID 170203406

IUPAC2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide
SMILESCCc1nc(N(C)CC(N)=O)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C13H23N7O/c1-4-11-15-12(19(3)9-10(14)21)17-13(16-11)20-7-5-18(2)6-8-20/h4-9H2,1-3H3,(H2,14,21)
InChIKeyVWNCUEDZCJMZDX-UHFFFAOYSA-N
MW293.38 g/mol
LogP-0.89
Rot. Bonds5

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

2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide (PubChem CID 170203406) has the molecular formula C13H23N7O and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide
PubChem CID170203406
Molecular FormulaC13H23N7O
Molecular Weight293.38 g/mol
Exact Mass293.20
IUPAC Name2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide
SMILESCCc1nc(N(C)CC(N)=O)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C13H23N7O/c1-4-11-15-12(19(3)9-10(14)21)17-13(16-11)20-7-5-18(2)6-8-20/h4-9H2,1-3H3,(H2,14,21)
InChIKeyVWNCUEDZCJMZDX-UHFFFAOYSA-N
XLogP-0.89
TPSA91.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide?
The IUPAC name of 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide (CID 170203406) is 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide.
What is the SMILES notation for 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide?
The canonical SMILES for 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide is CCc1nc(N(C)CC(N)=O)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide?
The InChIKey is VWNCUEDZCJMZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7O/c1-4-11-15-12(19(3)9-10(14)21)17-13(16-11)20-7-5-18(2)6-8-20/h4-9H2,1-3H3,(H2,14,21).
What are the key properties of 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide?
2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide has a molecular weight of 293.38 g/mol, XLogP of -0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide is sourced from PubChem (CID 170203406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).