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

C8H14N4O2S — CID 80884039

IUPAC4-ethoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(SCCOC)n1
InChIInChI=1S/C8H14N4O2S/c1-3-14-7-10-6(9)11-8(12-7)15-5-4-13-2/h3-5H2,1-2H3,(H2,9,10,11,12)
InChIKeyWJLBYWUMGRUULO-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.59
Rot. Bonds6

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

4-ethoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 80884039) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-ethoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID80884039
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name4-ethoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(SCCOC)n1
InChIInChI=1S/C8H14N4O2S/c1-3-14-7-10-6(9)11-8(12-7)15-5-4-13-2/h3-5H2,1-2H3,(H2,9,10,11,12)
InChIKeyWJLBYWUMGRUULO-UHFFFAOYSA-N
XLogP0.59
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.59
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-butan-2-ylsulfanyl-6-ethoxy-1,3,5-triazin-2-amine
CID 80887131
4-methoxy-6-pentylsulfanyl-1,3,5-triazin-2-amine
CID 107765408
4-chloro-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine
CID 80889976
4-(2-methoxyethylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80883957
4-ethoxy-6-(2-ethoxyethoxy)-1,3,5-triazin-2-amine
CID 80859204
4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80893125
2-(2-methoxyethylsulfanyl)-4,6-dimethylpyrimidine
CID 4204325
2-chloro-4-methoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazine
CID 62858857
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80829691
2-N-(1-cyclopropylethyl)-6-ethoxy-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80820940
4-ethoxy-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80870272
6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80776108

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazin-2-amine (CID 80884039) is 4-ethoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazin-2-amine is CCOc1nc(N)nc(SCCOC)n1.
What is the InChIKey of 4-ethoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is WJLBYWUMGRUULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-3-14-7-10-6(9)11-8(12-7)15-5-4-13-2/h3-5H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 4-ethoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazin-2-amine?
4-ethoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 230.29 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80884039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).