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

C20H37N7O3 — CID 156809039

IUPAC2-[methyl-[4-[2-(3-methylbutoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
SMILESCC(C)CCOCCOc1nc(N(C)CC(N)=O)nc(N2CCN(C(C)C)CC2)n1
InChIInChI=1S/C20H37N7O3/c1-15(2)6-11-29-12-13-30-20-23-18(25(5)14-17(21)28)22-19(24-20)27-9-7-26(8-10-27)16(3)4/h15-16H,6-14H2,1-5H3,(H2,21,28)
InChIKeyRHABXGFMJMALOT-UHFFFAOYSA-N
MW423.56 g/mol
LogP0.76
Rot. Bonds12

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

2-[methyl-[4-[2-(3-methylbutoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide (PubChem CID 156809039) has the molecular formula C20H37N7O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-[methyl-[4-[2-(3-methylbutoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[methyl-[4-[2-(3-methylbutoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
PubChem CID156809039
Molecular FormulaC20H37N7O3
Molecular Weight423.56 g/mol
Exact Mass423.30
IUPAC Name2-[methyl-[4-[2-(3-methylbutoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
SMILESCC(C)CCOCCOc1nc(N(C)CC(N)=O)nc(N2CCN(C(C)C)CC2)n1
InChIInChI=1S/C20H37N7O3/c1-15(2)6-11-29-12-13-30-20-23-18(25(5)14-17(21)28)22-19(24-20)27-9-7-26(8-10-27)16(3)4/h15-16H,6-14H2,1-5H3,(H2,21,28)
InChIKeyRHABXGFMJMALOT-UHFFFAOYSA-N
XLogP0.76
TPSA109.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 50.76
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-[2-(3-methylbutoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide 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-[2-(3-methylbutoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
The IUPAC name of 2-[methyl-[4-[2-(3-methylbutoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide (CID 156809039) is 2-[methyl-[4-[2-(3-methylbutoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide.
What is the SMILES notation for 2-[methyl-[4-[2-(3-methylbutoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
The canonical SMILES for 2-[methyl-[4-[2-(3-methylbutoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide is CC(C)CCOCCOc1nc(N(C)CC(N)=O)nc(N2CCN(C(C)C)CC2)n1.
What is the InChIKey of 2-[methyl-[4-[2-(3-methylbutoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
The InChIKey is RHABXGFMJMALOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N7O3/c1-15(2)6-11-29-12-13-30-20-23-18(25(5)14-17(21)28)22-19(24-20)27-9-7-26(8-10-27)16(3)4/h15-16H,6-14H2,1-5H3,(H2,21,28).
What are the key properties of 2-[methyl-[4-[2-(3-methylbutoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
2-[methyl-[4-[2-(3-methylbutoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide has a molecular weight of 423.56 g/mol, XLogP of 0.76, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-[2-(3-methylbutoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide is sourced from PubChem (CID 156809039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).