2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]oxy]-N,N-diethylethanamine

C21H42N6O3 — CID 10862842

IUPAC2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]oxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1nc(OCCN(CC)CC)nc(OCCN(CC)CC)n1
InChIInChI=1S/C21H42N6O3/c1-7-25(8-2)13-16-28-19-22-20(29-17-14-26(9-3)10-4)24-21(23-19)30-18-15-27(11-5)12-6/h7-18H2,1-6H3
InChIKeyCKOFYUHNSQAVLL-UHFFFAOYSA-N
MW426.61 g/mol
LogP2.03
Rot. Bonds18

About 2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]oxy]-N,N-diethylethanamine

2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]oxy]-N,N-diethylethanamine (PubChem CID 10862842) has the molecular formula C21H42N6O3 and a molecular weight of 426.61 g/mol. Its IUPAC name is 2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]oxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]oxy]-N,N-diethylethanamine
PubChem CID10862842
Molecular FormulaC21H42N6O3
Molecular Weight426.61 g/mol
Exact Mass426.33
IUPAC Name2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]oxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1nc(OCCN(CC)CC)nc(OCCN(CC)CC)n1
InChIInChI=1S/C21H42N6O3/c1-7-25(8-2)13-16-28-19-22-20(29-17-14-26(9-3)10-4)24-21(23-19)30-18-15-27(11-5)12-6/h7-18H2,1-6H3
InChIKeyCKOFYUHNSQAVLL-UHFFFAOYSA-N
XLogP2.03
TPSA76.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]oxy]-N,N-diethylethanamine?
The IUPAC name of 2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]oxy]-N,N-diethylethanamine (CID 10862842) is 2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]oxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]oxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]oxy]-N,N-diethylethanamine is CCN(CC)CCOc1nc(OCCN(CC)CC)nc(OCCN(CC)CC)n1.
What is the InChIKey of 2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]oxy]-N,N-diethylethanamine?
The InChIKey is CKOFYUHNSQAVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N6O3/c1-7-25(8-2)13-16-28-19-22-20(29-17-14-26(9-3)10-4)24-21(23-19)30-18-15-27(11-5)12-6/h7-18H2,1-6H3.
What are the key properties of 2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]oxy]-N,N-diethylethanamine?
2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]oxy]-N,N-diethylethanamine has a molecular weight of 426.61 g/mol, XLogP of 2.03, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]oxy]-N,N-diethylethanamine is sourced from PubChem (CID 10862842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).