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

C18H33N7O3 — CID 156812730

IUPAC2-[methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide
SMILESCCCOCCOc1nc(N(C)CC(N)=O)nc(N2CCN(C(C)C)CC2)n1
InChIInChI=1S/C18H33N7O3/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/h14H,5-13H2,1-4H3,(H2,19,26)
InChIKeyMCGOMLCNDZCWRR-UHFFFAOYSA-N
MW395.51 g/mol
LogP0.13
Rot. Bonds11

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

2-[methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide (PubChem CID 156812730) has the molecular formula C18H33N7O3 and a molecular weight of 395.51 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.

Molecular Properties

Compound Name2-[methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide
PubChem CID156812730
Molecular FormulaC18H33N7O3
Molecular Weight395.51 g/mol
Exact Mass395.26
IUPAC Name2-[methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide
SMILESCCCOCCOc1nc(N(C)CC(N)=O)nc(N2CCN(C(C)C)CC2)n1
InChIInChI=1S/C18H33N7O3/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/h14H,5-13H2,1-4H3,(H2,19,26)
InChIKeyMCGOMLCNDZCWRR-UHFFFAOYSA-N
XLogP0.13
TPSA109.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 50.13
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-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide?
The IUPAC name of 2-[methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide (CID 156812730) is 2-[methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide.
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?
The canonical SMILES for 2-[methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide is 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?
The InChIKey is MCGOMLCNDZCWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N7O3/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/h14H,5-13H2,1-4H3,(H2,19,26).
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?
2-[methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide has a molecular weight of 395.51 g/mol, XLogP of 0.13, 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 is sourced from PubChem (CID 156812730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).