2-N,4-N-dibutyl-4-N-[4-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-chloro-1,3,5-triazin-2-yl]-6-chloro-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

C36H63Cl2N11 — CID 11970990

IUPAC2-N,4-N-dibutyl-4-N-[4-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-chloro-1,3,5-triazin-2-yl]-6-chloro-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCN(c1nc(Cl)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)c1nc(Cl)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C36H63Cl2N11/c1-12-15-18-47(25-21-33(4,5)45-34(6,7)22-25)29-39-27(37)41-31(43-29)49(20-17-14-3)32-42-28(38)40-30(44-32)48(19-16-13-2)26-23-35(8,9)46-36(10,11)24-26/h25-26,45-46H,12-24H2,1-11H3
InChIKeyUDPMLRCYSXMNNA-UHFFFAOYSA-N
MW720.88 g/mol
LogP8.13
Rot. Bonds15

About 2-N,4-N-dibutyl-4-N-[4-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-chloro-1,3,5-triazin-2-yl]-6-chloro-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

2-N,4-N-dibutyl-4-N-[4-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-chloro-1,3,5-triazin-2-yl]-6-chloro-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 11970990) has the molecular formula C36H63Cl2N11 and a molecular weight of 720.88 g/mol. Its IUPAC name is 2-N,4-N-dibutyl-4-N-[4-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-chloro-1,3,5-triazin-2-yl]-6-chloro-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dibutyl-4-N-[4-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-chloro-1,3,5-triazin-2-yl]-6-chloro-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID11970990
Molecular FormulaC36H63Cl2N11
Molecular Weight720.88 g/mol
Exact Mass719.46
IUPAC Name2-N,4-N-dibutyl-4-N-[4-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-chloro-1,3,5-triazin-2-yl]-6-chloro-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCN(c1nc(Cl)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)c1nc(Cl)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C36H63Cl2N11/c1-12-15-18-47(25-21-33(4,5)45-34(6,7)22-25)29-39-27(37)41-31(43-29)49(20-17-14-3)32-42-28(38)40-30(44-32)48(19-16-13-2)26-23-35(8,9)46-36(10,11)24-26/h25-26,45-46H,12-24H2,1-11H3
InChIKeyUDPMLRCYSXMNNA-UHFFFAOYSA-N
XLogP8.13
TPSA111.12 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500720.88
LogP ≤ 58.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-N,4-N-dibutyl-4-N-[4-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-chloro-1,3,5-triazin-2-yl]-6-chloro-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibutyl-4-N-[4-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-chloro-1,3,5-triazin-2-yl]-6-chloro-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dibutyl-4-N-[4-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-chloro-1,3,5-triazin-2-yl]-6-chloro-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (CID 11970990) is 2-N,4-N-dibutyl-4-N-[4-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-chloro-1,3,5-triazin-2-yl]-6-chloro-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dibutyl-4-N-[4-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-chloro-1,3,5-triazin-2-yl]-6-chloro-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dibutyl-4-N-[4-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-chloro-1,3,5-triazin-2-yl]-6-chloro-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is CCCCN(c1nc(Cl)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)c1nc(Cl)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1.
What is the InChIKey of 2-N,4-N-dibutyl-4-N-[4-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-chloro-1,3,5-triazin-2-yl]-6-chloro-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UDPMLRCYSXMNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H63Cl2N11/c1-12-15-18-47(25-21-33(4,5)45-34(6,7)22-25)29-39-27(37)41-31(43-29)49(20-17-14-3)32-42-28(38)40-30(44-32)48(19-16-13-2)26-23-35(8,9)46-36(10,11)24-26/h25-26,45-46H,12-24H2,1-11H3.
What are the key properties of 2-N,4-N-dibutyl-4-N-[4-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-chloro-1,3,5-triazin-2-yl]-6-chloro-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-dibutyl-4-N-[4-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-chloro-1,3,5-triazin-2-yl]-6-chloro-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 720.88 g/mol, XLogP of 8.13, 15 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibutyl-4-N-[4-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-chloro-1,3,5-triazin-2-yl]-6-chloro-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 11970990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).