2-[[4-(2-hydroxyethylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol

C20H39N7O2 — CID 70512865

IUPAC2-[[4-(2-hydroxyethylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCCC(Nc1nc(NCCO)nc(NCCO)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C20H39N7O2/c1-6-7-15(14-12-19(2,3)27-20(4,5)13-14)23-18-25-16(21-8-10-28)24-17(26-18)22-9-11-29/h14-15,27-29H,6-13H2,1-5H3,(H3,21,22,23,24,25,26)
InChIKeyINHHFOCELHWTSM-UHFFFAOYSA-N
MW409.58 g/mol
LogP1.82
Rot. Bonds11

About 2-[[4-(2-hydroxyethylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-(2-hydroxyethylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 70512865) has the molecular formula C20H39N7O2 and a molecular weight of 409.58 g/mol. Its IUPAC name is 2-[[4-(2-hydroxyethylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(2-hydroxyethylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID70512865
Molecular FormulaC20H39N7O2
Molecular Weight409.58 g/mol
Exact Mass409.32
IUPAC Name2-[[4-(2-hydroxyethylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCCC(Nc1nc(NCCO)nc(NCCO)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C20H39N7O2/c1-6-7-15(14-12-19(2,3)27-20(4,5)13-14)23-18-25-16(21-8-10-28)24-17(26-18)22-9-11-29/h14-15,27-29H,6-13H2,1-5H3,(H3,21,22,23,24,25,26)
InChIKeyINHHFOCELHWTSM-UHFFFAOYSA-N
XLogP1.82
TPSA127.25 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.58
LogP ≤ 51.82
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-hydroxyethylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(2-hydroxyethylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol (CID 70512865) is 2-[[4-(2-hydroxyethylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(2-hydroxyethylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(2-hydroxyethylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol is CCCC(Nc1nc(NCCO)nc(NCCO)n1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[[4-(2-hydroxyethylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is INHHFOCELHWTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N7O2/c1-6-7-15(14-12-19(2,3)27-20(4,5)13-14)23-18-25-16(21-8-10-28)24-17(26-18)22-9-11-29/h14-15,27-29H,6-13H2,1-5H3,(H3,21,22,23,24,25,26).
What are the key properties of 2-[[4-(2-hydroxyethylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(2-hydroxyethylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 409.58 g/mol, XLogP of 1.82, 11 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-hydroxyethylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 70512865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).