2-[methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide;propane

C21H41N7O3 — CID 156812729

IUPAC2-[methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide;propane
SMILESCCC.CCCOCCOc1nc(N(C)CC(N)=O)nc(N2CCN(C(C)C)CC2)n1
InChIInChI=1S/C18H33N7O3.C3H8/c1-5-10-27-11-12-28-18-21-16(23(4)13-15(19)26)20-17(22-18)25-8-6-24(7-9-25)14(2)3;1-3-2/h14H,5-13H2,1-4H3,(H2,19,26);3H2,1-2H3
InChIKeyAPICMYXWMHMRPZ-UHFFFAOYSA-N
MW439.61 g/mol
LogP1.55
Rot. Bonds11

About 2-[methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide;propane

2-[methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide;propane (PubChem CID 156812729) has the molecular formula C21H41N7O3 and a molecular weight of 439.61 g/mol. Its IUPAC name is 2-[methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide;propane.

Molecular Properties

Compound Name2-[methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide;propane
PubChem CID156812729
Molecular FormulaC21H41N7O3
Molecular Weight439.61 g/mol
Exact Mass439.33
IUPAC Name2-[methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide;propane
SMILESCCC.CCCOCCOc1nc(N(C)CC(N)=O)nc(N2CCN(C(C)C)CC2)n1
InChIInChI=1S/C18H33N7O3.C3H8/c1-5-10-27-11-12-28-18-21-16(23(4)13-15(19)26)20-17(22-18)25-8-6-24(7-9-25)14(2)3;1-3-2/h14H,5-13H2,1-4H3,(H2,19,26);3H2,1-2H3
InChIKeyAPICMYXWMHMRPZ-UHFFFAOYSA-N
XLogP1.55
TPSA109.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.61
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide;propane?
The IUPAC name of 2-[methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide;propane (CID 156812729) is 2-[methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide;propane.
What is the SMILES notation for 2-[methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide;propane?
The canonical SMILES for 2-[methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide;propane is CCC.CCCOCCOc1nc(N(C)CC(N)=O)nc(N2CCN(C(C)C)CC2)n1.
What is the InChIKey of 2-[methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide;propane?
The InChIKey is APICMYXWMHMRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N7O3.C3H8/c1-5-10-27-11-12-28-18-21-16(23(4)13-15(19)26)20-17(22-18)25-8-6-24(7-9-25)14(2)3;1-3-2/h14H,5-13H2,1-4H3,(H2,19,26);3H2,1-2H3.
What are the key properties of 2-[methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide;propane?
2-[methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide;propane has a molecular weight of 439.61 g/mol, XLogP of 1.55, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide;propane is sourced from PubChem (CID 156812729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).