4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine

C21H42N8O — CID 117093810

IUPAC4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(NCCN2CCOCC2)nc(NCCN(C(C)C)C(C)C)n1
InChIInChI=1S/C21H42N8O/c1-7-28(8-2)21-25-19(22-9-11-27-13-15-30-16-14-27)24-20(26-21)23-10-12-29(17(3)4)18(5)6/h17-18H,7-16H2,1-6H3,(H2,22,23,24,25,26)
InChIKeyYRNWLLAFIFCTON-UHFFFAOYSA-N
MW422.62 g/mol
LogP1.99
Rot. Bonds13

About 4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine

4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 117093810) has the molecular formula C21H42N8O and a molecular weight of 422.62 g/mol. Its IUPAC name is 4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID117093810
Molecular FormulaC21H42N8O
Molecular Weight422.62 g/mol
Exact Mass422.35
IUPAC Name4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(NCCN2CCOCC2)nc(NCCN(C(C)C)C(C)C)n1
InChIInChI=1S/C21H42N8O/c1-7-28(8-2)21-25-19(22-9-11-27-13-15-30-16-14-27)24-20(26-21)23-10-12-29(17(3)4)18(5)6/h17-18H,7-16H2,1-6H3,(H2,22,23,24,25,26)
InChIKeyYRNWLLAFIFCTON-UHFFFAOYSA-N
XLogP1.99
TPSA81.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.62
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine (CID 117093810) is 4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(NCCN2CCOCC2)nc(NCCN(C(C)C)C(C)C)n1.
What is the InChIKey of 4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is YRNWLLAFIFCTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N8O/c1-7-28(8-2)21-25-19(22-9-11-27-13-15-30-16-14-27)24-20(26-21)23-10-12-29(17(3)4)18(5)6/h17-18H,7-16H2,1-6H3,(H2,22,23,24,25,26).
What are the key properties of 4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine?
4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 422.62 g/mol, XLogP of 1.99, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 117093810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).