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

C16H28N6O4 — CID 23845180

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(NCCOCCOCCN)nc(N2CCOCC2)n1
InChIInChI=1S/C16H28N6O4/c1-2-7-26-16-20-14(18-4-9-24-13-12-23-8-3-17)19-15(21-16)22-5-10-25-11-6-22/h2H,1,3-13,17H2,(H,18,19,20,21)
InChIKeyLQADUIZPQOUVKD-UHFFFAOYSA-N
MW368.44 g/mol
LogP-0.32
Rot. Bonds13

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

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine (PubChem CID 23845180) has the molecular formula C16H28N6O4 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine
PubChem CID23845180
Molecular FormulaC16H28N6O4
Molecular Weight368.44 g/mol
Exact Mass368.22
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(NCCOCCOCCN)nc(N2CCOCC2)n1
InChIInChI=1S/C16H28N6O4/c1-2-7-26-16-20-14(18-4-9-24-13-12-23-8-3-17)19-15(21-16)22-5-10-25-11-6-22/h2H,1,3-13,17H2,(H,18,19,20,21)
InChIKeyLQADUIZPQOUVKD-UHFFFAOYSA-N
XLogP-0.32
TPSA116.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N-allyl-N'-ethyl-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 2295099
1,3,5-Triazine, 2-allylamino-4,6-bis(4-morpholyl)-
CID 627850
N-Allyl-6-methoxy-N'-(2-morpholin-4-yl-ethyl)-[1,3,5]triazine-2,4-diamine
CID 644524
4-(allyloxy)-N,N-dimethyl-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 2187729
6-morpholin-4-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 7589342
1-N,1-N'-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]ethane-1,1-diamine
CID 20560532
4-[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]morpholine
CID 68149051
4-[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-4-methylmorpholin-4-ium
CID 117995512
2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-N-(methoxymethyl)morpholine-4-carbothioamide
CID 3777717
4-N,4-N-dimethyl-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 4377033
6-methoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 7120384
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 23900905

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine (CID 23845180) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine is C=CCOc1nc(NCCOCCOCCN)nc(N2CCOCC2)n1.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The InChIKey is LQADUIZPQOUVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O4/c1-2-7-26-16-20-14(18-4-9-24-13-12-23-8-3-17)19-15(21-16)22-5-10-25-11-6-22/h2H,1,3-13,17H2,(H,18,19,20,21).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine has a molecular weight of 368.44 g/mol, XLogP of -0.32, 13 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-prop-2-enoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 23845180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).