N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C17H31N7O3 — CID 23872953

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESNCCOCCOCCNc1nc(N2CCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H31N7O3/c18-3-9-25-13-14-26-10-4-19-15-20-16(23-5-1-2-6-23)22-17(21-15)24-7-11-27-12-8-24/h1-14,18H2,(H,19,20,21,22)
InChIKeyJLOFONHNLWGULW-UHFFFAOYSA-N
MW381.48 g/mol
LogP-0.29
Rot. Bonds11

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 23872953) has the molecular formula C17H31N7O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID23872953
Molecular FormulaC17H31N7O3
Molecular Weight381.48 g/mol
Exact Mass381.25
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESNCCOCCOCCNc1nc(N2CCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H31N7O3/c18-3-9-25-13-14-26-10-4-19-15-20-16(23-5-1-2-6-23)22-17(21-15)24-7-11-27-12-8-24/h1-14,18H2,(H,19,20,21,22)
InChIKeyJLOFONHNLWGULW-UHFFFAOYSA-N
XLogP-0.29
TPSA110.89 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimorpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 2057546
6-morpholin-4-yl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 4575981
6-pyrrolidin-1-yl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80818936
2-N-[2-(2,2-difluoroethoxy)ethyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 105922365
6-morpholin-4-yl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine
CID 115523100
N-hexyl-4-methoxy-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 3117175
N~2~-hexyl-6-(4-morpholinyl)-N~4~-propyl-1,3,5-triazine-2,4-diamine
CID 5030687
4-N,4-N-diethyl-6-morpholin-4-yl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80751252
2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 117092417
2-N,4-N-dibutyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 23290147
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 23872956
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 23929046

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 23872953) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is NCCOCCOCCNc1nc(N2CCCC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is JLOFONHNLWGULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N7O3/c18-3-9-25-13-14-26-10-4-19-15-20-16(23-5-1-2-6-23)22-17(21-15)24-7-11-27-12-8-24/h1-14,18H2,(H,19,20,21,22).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 381.48 g/mol, XLogP of -0.29, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 23872953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).