4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

About 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 23758499) has the molecular formula C18H33N7O3 and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name	4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID	23758499
Molecular Formula	C18H33N7O3
Molecular Weight	395.51 g/mol
Exact Mass	395.26
IUPAC Name	4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILES	NCCOCCOCCNc1nc(NCC2CCCO2)nc(N2CCCC2)n1
InChI	InChI=1S/C18H33N7O3/c19-5-10-26-12-13-27-11-6-20-16-22-17(21-14-15-4-3-9-28-15)24-18(23-16)25-7-1-2-8-25/h15H,1-14,19H2,(H2,20,21,22,23,24)
InChIKey	UWJXHHJWMMKNPU-UHFFFAOYSA-N
XLogP	0.47
TPSA	119.68 Å²
H-Bond Donors	3
H-Bond Acceptors	10
Rotatable Bonds	13
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.51
LogP ≤ 5	0.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?

The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 23758499) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is NCCOCCOCCNc1nc(NCC2CCCO2)nc(N2CCCC2)n1.

What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?

The InChIKey is UWJXHHJWMMKNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N7O3/c19-5-10-26-12-13-27-11-6-20-16-22-17(21-14-15-4-3-9-28-15)24-18(23-16)25-7-1-2-8-25/h15H,1-14,19H2,(H2,20,21,22,23,24).

What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 395.51 g/mol, XLogP of 0.47, 13 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23758499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).