4-ethoxy-6-(2-propoxyethoxy)-N-propyl-1,3,5-triazin-2-amine

C13H24N4O3 — CID 80876867

IUPAC4-ethoxy-6-(2-propoxyethoxy)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCC)nc(OCCOCCC)n1
InChIInChI=1S/C13H24N4O3/c1-4-7-14-11-15-12(19-6-3)17-13(16-11)20-10-9-18-8-5-2/h4-10H2,1-3H3,(H,14,15,16,17)
InChIKeyYDHMHRZIGIPAIK-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.90
Rot. Bonds11

About 4-ethoxy-6-(2-propoxyethoxy)-N-propyl-1,3,5-triazin-2-amine

4-ethoxy-6-(2-propoxyethoxy)-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80876867) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-ethoxy-6-(2-propoxyethoxy)-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(2-propoxyethoxy)-N-propyl-1,3,5-triazin-2-amine
PubChem CID80876867
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name4-ethoxy-6-(2-propoxyethoxy)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCC)nc(OCCOCCC)n1
InChIInChI=1S/C13H24N4O3/c1-4-7-14-11-15-12(19-6-3)17-13(16-11)20-10-9-18-8-5-2/h4-10H2,1-3H3,(H,14,15,16,17)
InChIKeyYDHMHRZIGIPAIK-UHFFFAOYSA-N
XLogP1.90
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
4-(2-butoxyethoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80861104
4-ethoxy-6-hydrazinyl-N-(3-propoxypropyl)-1,3,5-triazin-2-amine
CID 82947451
4-(3,3-dimethylbutoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80871739
2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 103466702
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
2-N,2-N-dimethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766033
2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80770559
4-(4-bromophenoxy)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80866586
2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80765182
6-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855312
6-ethoxy-2-N-[2-[ethyl(methyl)amino]ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80832327

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(2-propoxyethoxy)-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-(2-propoxyethoxy)-N-propyl-1,3,5-triazin-2-amine (CID 80876867) is 4-ethoxy-6-(2-propoxyethoxy)-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(2-propoxyethoxy)-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-(2-propoxyethoxy)-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OCC)nc(OCCOCCC)n1.
What is the InChIKey of 4-ethoxy-6-(2-propoxyethoxy)-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is YDHMHRZIGIPAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-4-7-14-11-15-12(19-6-3)17-13(16-11)20-10-9-18-8-5-2/h4-10H2,1-3H3,(H,14,15,16,17).
What are the key properties of 4-ethoxy-6-(2-propoxyethoxy)-N-propyl-1,3,5-triazin-2-amine?
4-ethoxy-6-(2-propoxyethoxy)-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 284.36 g/mol, XLogP of 1.90, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(2-propoxyethoxy)-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80876867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).