4-ethoxy-6-(2-ethoxyethoxy)-1,3,5-triazin-2-amine

C9H16N4O3 — CID 80859204

IUPAC4-ethoxy-6-(2-ethoxyethoxy)-1,3,5-triazin-2-amine
SMILESCCOCCOc1nc(N)nc(OCC)n1
InChIInChI=1S/C9H16N4O3/c1-3-14-5-6-16-9-12-7(10)11-8(13-9)15-4-2/h3-6H2,1-2H3,(H2,10,11,12,13)
InChIKeyUMTSVJSBYIEBAF-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.27
Rot. Bonds7

About 4-ethoxy-6-(2-ethoxyethoxy)-1,3,5-triazin-2-amine

4-ethoxy-6-(2-ethoxyethoxy)-1,3,5-triazin-2-amine (PubChem CID 80859204) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-ethoxy-6-(2-ethoxyethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(2-ethoxyethoxy)-1,3,5-triazin-2-amine
PubChem CID80859204
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name4-ethoxy-6-(2-ethoxyethoxy)-1,3,5-triazin-2-amine
SMILESCCOCCOc1nc(N)nc(OCC)n1
InChIInChI=1S/C9H16N4O3/c1-3-14-5-6-16-9-12-7(10)11-8(13-9)15-4-2/h3-6H2,1-2H3,(H2,10,11,12,13)
InChIKeyUMTSVJSBYIEBAF-UHFFFAOYSA-N
XLogP0.27
TPSA92.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.27
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

4-methoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1,3,5-triazin-2-amine
CID 104568131
4-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
CID 113427586
4-[2-(2-methylpropoxy)ethoxy]-6-propoxy-1,3,5-triazin-2-amine
CID 106451498
4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine
CID 80867376
ethoxyethane;1,3,5-triazine-2,4,6-triamine
CID 22177331
2-N,2-N-diethyl-6-(2-propoxyethoxy)-1,3,5-triazine-2,4-diamine
CID 80876870
4-ethoxy-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80870272
4-ethoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
CID 80863450
4-ethoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 80877469
4-ethoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazin-2-amine
CID 80884039
4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80863734
4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80858156

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(2-ethoxyethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-(2-ethoxyethoxy)-1,3,5-triazin-2-amine (CID 80859204) is 4-ethoxy-6-(2-ethoxyethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(2-ethoxyethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-(2-ethoxyethoxy)-1,3,5-triazin-2-amine is CCOCCOc1nc(N)nc(OCC)n1.
What is the InChIKey of 4-ethoxy-6-(2-ethoxyethoxy)-1,3,5-triazin-2-amine?
The InChIKey is UMTSVJSBYIEBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-3-14-5-6-16-9-12-7(10)11-8(13-9)15-4-2/h3-6H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-ethoxy-6-(2-ethoxyethoxy)-1,3,5-triazin-2-amine?
4-ethoxy-6-(2-ethoxyethoxy)-1,3,5-triazin-2-amine has a molecular weight of 228.25 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(2-ethoxyethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80859204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).