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

C16H29N7O3 — CID 164565175

IUPAC2-[methyl-[4-(4-methylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide
SMILESCCCOCCOc1nc(N(C)CC(N)=O)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C16H29N7O3/c1-4-9-25-10-11-26-16-19-14(22(3)12-13(17)24)18-15(20-16)23-7-5-21(2)6-8-23/h4-12H2,1-3H3,(H2,17,24)
InChIKeyCINQGCJJJXWIND-UHFFFAOYSA-N
MW367.45 g/mol
LogP-0.65
Rot. Bonds10

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

2-[methyl-[4-(4-methylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide (PubChem CID 164565175) has the molecular formula C16H29N7O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[methyl-[4-(4-methylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[methyl-[4-(4-methylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide
PubChem CID164565175
Molecular FormulaC16H29N7O3
Molecular Weight367.45 g/mol
Exact Mass367.23
IUPAC Name2-[methyl-[4-(4-methylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide
SMILESCCCOCCOc1nc(N(C)CC(N)=O)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C16H29N7O3/c1-4-9-25-10-11-26-16-19-14(22(3)12-13(17)24)18-15(20-16)23-7-5-21(2)6-8-23/h4-12H2,1-3H3,(H2,17,24)
InChIKeyCINQGCJJJXWIND-UHFFFAOYSA-N
XLogP-0.65
TPSA109.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-(4-methylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide?
The IUPAC name of 2-[methyl-[4-(4-methylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide (CID 164565175) is 2-[methyl-[4-(4-methylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide.
What is the SMILES notation for 2-[methyl-[4-(4-methylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide?
The canonical SMILES for 2-[methyl-[4-(4-methylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide is CCCOCCOc1nc(N(C)CC(N)=O)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 2-[methyl-[4-(4-methylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide?
The InChIKey is CINQGCJJJXWIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N7O3/c1-4-9-25-10-11-26-16-19-14(22(3)12-13(17)24)18-15(20-16)23-7-5-21(2)6-8-23/h4-12H2,1-3H3,(H2,17,24).
What are the key properties of 2-[methyl-[4-(4-methylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide?
2-[methyl-[4-(4-methylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide has a molecular weight of 367.45 g/mol, XLogP of -0.65, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-(4-methylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide is sourced from PubChem (CID 164565175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).