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

C31H53N9O4 — CID 59082169

IUPAC1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione
SMILESCCCCN(C)c1nc(C)nc(N(CCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)CCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)n1
InChIInChI=1S/C31H53N9O4/c1-14-15-16-35(11)26-32-21(2)33-27(34-26)38(17-19-39-22(41)28(3,4)36(12)29(5,6)23(39)42)18-20-40-24(43)30(7,8)37(13)31(9,10)25(40)44/h14-20H2,1-13H3
InChIKeyAPFCDXAZWURYFS-UHFFFAOYSA-N
MW615.82 g/mol
LogP1.94
Rot. Bonds11

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

1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione (PubChem CID 59082169) has the molecular formula C31H53N9O4 and a molecular weight of 615.82 g/mol. Its IUPAC name is 1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione.

Molecular Properties

Compound Name1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione
PubChem CID59082169
Molecular FormulaC31H53N9O4
Molecular Weight615.82 g/mol
Exact Mass615.42
IUPAC Name1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione
SMILESCCCCN(C)c1nc(C)nc(N(CCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)CCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)n1
InChIInChI=1S/C31H53N9O4/c1-14-15-16-35(11)26-32-21(2)33-27(34-26)38(17-19-39-22(41)28(3,4)36(12)29(5,6)23(39)42)18-20-40-24(43)30(7,8)37(13)31(9,10)25(40)44/h14-20H2,1-13H3
InChIKeyAPFCDXAZWURYFS-UHFFFAOYSA-N
XLogP1.94
TPSA126.39 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.82
LogP ≤ 51.94
H-Bond Donors ≤ 50
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-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione?
The IUPAC name of 1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione (CID 59082169) is 1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione.
What is the SMILES notation for 1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione?
The canonical SMILES for 1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione is CCCCN(C)c1nc(C)nc(N(CCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)CCN2C(=O)C(C)(C)N(C)C(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-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione?
The InChIKey is APFCDXAZWURYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H53N9O4/c1-14-15-16-35(11)26-32-21(2)33-27(34-26)38(17-19-39-22(41)28(3,4)36(12)29(5,6)23(39)42)18-20-40-24(43)30(7,8)37(13)31(9,10)25(40)44/h14-20H2,1-13H3.
What are the key properties of 1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione?
1-[2-[[4-[butyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione has a molecular weight of 615.82 g/mol, XLogP of 1.94, 11 rotatable bonds, 0 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-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione is sourced from PubChem (CID 59082169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).