4-(3-ethoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine

C9H16N4OS — CID 83084602

IUPAC4-(3-ethoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCCOCCCc1nc(N)nc(SC)n1
InChIInChI=1S/C9H16N4OS/c1-3-14-6-4-5-7-11-8(10)13-9(12-7)15-2/h3-6H2,1-2H3,(H2,10,11,12,13)
InChIKeyFXQJAHGQNNGTOB-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.14
Rot. Bonds6

About 4-(3-ethoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine

4-(3-ethoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 83084602) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-(3-ethoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-ethoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID83084602
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name4-(3-ethoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCCOCCCc1nc(N)nc(SC)n1
InChIInChI=1S/C9H16N4OS/c1-3-14-6-4-5-7-11-8(10)13-9(12-7)15-2/h3-6H2,1-2H3,(H2,10,11,12,13)
InChIKeyFXQJAHGQNNGTOB-UHFFFAOYSA-N
XLogP1.14
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-ethoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 83084602) is 4-(3-ethoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-ethoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-ethoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is CCOCCCc1nc(N)nc(SC)n1.
What is the InChIKey of 4-(3-ethoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is FXQJAHGQNNGTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-3-14-6-4-5-7-11-8(10)13-9(12-7)15-2/h3-6H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-(3-ethoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(3-ethoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 228.32 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 83084602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).