1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione

C29H49N9O4 — CID 59082166

IUPAC1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione
SMILESCCCCN(C)c1nc(C)nc(N(CCN2C(=O)C(C)(C)NC(C)(C)C2=O)CCN2C(=O)C(C)(C)NC(C)(C)C2=O)n1
InChIInChI=1S/C29H49N9O4/c1-12-13-14-35(11)24-30-19(2)31-25(32-24)36(15-17-37-20(39)26(3,4)33-27(5,6)21(37)40)16-18-38-22(41)28(7,8)34-29(9,10)23(38)42/h33-34H,12-18H2,1-11H3
InChIKeyNKXSRTULWQFHCW-UHFFFAOYSA-N
MW587.77 g/mol
LogP1.25
Rot. Bonds11

About 1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione

1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione (PubChem CID 59082166) has the molecular formula C29H49N9O4 and a molecular weight of 587.77 g/mol. Its IUPAC name is 1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione.

Molecular Properties

Compound Name1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione
PubChem CID59082166
Molecular FormulaC29H49N9O4
Molecular Weight587.77 g/mol
Exact Mass587.39
IUPAC Name1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione
SMILESCCCCN(C)c1nc(C)nc(N(CCN2C(=O)C(C)(C)NC(C)(C)C2=O)CCN2C(=O)C(C)(C)NC(C)(C)C2=O)n1
InChIInChI=1S/C29H49N9O4/c1-12-13-14-35(11)24-30-19(2)31-25(32-24)36(15-17-37-20(39)26(3,4)33-27(5,6)21(37)40)16-18-38-22(41)28(7,8)34-29(9,10)23(38)42/h33-34H,12-18H2,1-11H3
InChIKeyNKXSRTULWQFHCW-UHFFFAOYSA-N
XLogP1.25
TPSA143.97 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.77
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione 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 1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione?
The IUPAC name of 1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione (CID 59082166) is 1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione.
What is the SMILES notation for 1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione?
The canonical SMILES for 1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione is CCCCN(C)c1nc(C)nc(N(CCN2C(=O)C(C)(C)NC(C)(C)C2=O)CCN2C(=O)C(C)(C)NC(C)(C)C2=O)n1.
What is the InChIKey of 1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione?
The InChIKey is NKXSRTULWQFHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H49N9O4/c1-12-13-14-35(11)24-30-19(2)31-25(32-24)36(15-17-37-20(39)26(3,4)33-27(5,6)21(37)40)16-18-38-22(41)28(7,8)34-29(9,10)23(38)42/h33-34H,12-18H2,1-11H3.
What are the key properties of 1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione?
1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione has a molecular weight of 587.77 g/mol, XLogP of 1.25, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione is sourced from PubChem (CID 59082166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).