4-butoxy-6-ethyl-1,3,5-triazin-2-amine

C9H16N4O — CID 6611604

IUPAC4-butoxy-6-ethyl-1,3,5-triazin-2-amine
SMILESCCCCOc1nc(N)nc(CC)n1
InChIInChI=1S/C9H16N4O/c1-3-5-6-14-9-12-7(4-2)11-8(10)13-9/h3-6H2,1-2H3,(H2,10,11,12,13)
InChIKeyJURMZXIHKZWGSH-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.20
Rot. Bonds5

About 4-butoxy-6-ethyl-1,3,5-triazin-2-amine

4-butoxy-6-ethyl-1,3,5-triazin-2-amine (PubChem CID 6611604) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-butoxy-6-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-butoxy-6-ethyl-1,3,5-triazin-2-amine
PubChem CID6611604
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-butoxy-6-ethyl-1,3,5-triazin-2-amine
SMILESCCCCOc1nc(N)nc(CC)n1
InChIInChI=1S/C9H16N4O/c1-3-5-6-14-9-12-7(4-2)11-8(10)13-9/h3-6H2,1-2H3,(H2,10,11,12,13)
InChIKeyJURMZXIHKZWGSH-UHFFFAOYSA-N
XLogP1.20
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Ethoxy-6-methyl-1,3,5-triazin-2-amine
CID 77490
4-Ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 69701
1,3,5-Triazin-2-amine, 4-butoxy-N-ethyl-6-methyl-
CID 21312
4-Ethoxy-N,6-diethyl-1,3,5-triazin-2-amine
CID 23295
1,3,5-Triazin-2-amine, 4-ethoxy-6-ethyl-
CID 121205
1,3,5-Triazin-2-amine, 4-methoxy-6-propyl-
CID 199263
4-Ethoxy-6-ethyl-N-methyl-1,3,5-triazin-2-amine
CID 201842
1,3,5-Triazin-2-amine, 4-(2-methoxyethoxy)-6-methyl-
CID 3044260
1,3,5-Triazin-2-amine, 4-ethoxy-6-ethyl-N-(1-methylethyl)-
CID 199910
1,3,5-Triazine-2-acetonitrile, 4-amino-6-ethoxy-
CID 199945
1,3,5-Triazin-2-amine, N,4-diethyl-6-(1-methylethoxy)-
CID 3044741
4-Tert-butyl-6-methoxy-1,3,5-triazin-2-amine
CID 698866

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-6-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-butoxy-6-ethyl-1,3,5-triazin-2-amine (CID 6611604) is 4-butoxy-6-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-butoxy-6-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-butoxy-6-ethyl-1,3,5-triazin-2-amine is CCCCOc1nc(N)nc(CC)n1.
What is the InChIKey of 4-butoxy-6-ethyl-1,3,5-triazin-2-amine?
The InChIKey is JURMZXIHKZWGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-5-6-14-9-12-7(4-2)11-8(10)13-9/h3-6H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-butoxy-6-ethyl-1,3,5-triazin-2-amine?
4-butoxy-6-ethyl-1,3,5-triazin-2-amine has a molecular weight of 196.25 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-6-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 6611604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).