4-methoxy-6-(2-methoxyethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine

C8H14N4O2S — CID 80883876

IUPAC4-methoxy-6-(2-methoxyethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(SCCOC)n1
InChIInChI=1S/C8H14N4O2S/c1-9-6-10-7(14-3)12-8(11-6)15-5-4-13-2/h4-5H2,1-3H3,(H,9,10,11,12)
InChIKeySLQMMUVWBZKIIJ-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.66
Rot. Bonds6

About 4-methoxy-6-(2-methoxyethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine

4-methoxy-6-(2-methoxyethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80883876) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-methoxy-6-(2-methoxyethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-(2-methoxyethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
PubChem CID80883876
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name4-methoxy-6-(2-methoxyethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(SCCOC)n1
InChIInChI=1S/C8H14N4O2S/c1-9-6-10-7(14-3)12-8(11-6)15-5-4-13-2/h4-5H2,1-3H3,(H,9,10,11,12)
InChIKeySLQMMUVWBZKIIJ-UHFFFAOYSA-N
XLogP0.66
TPSA69.16 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 ≤ 50.66
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-N-methyl-6-propylsulfanyl-1,3,5-triazin-2-amine
CID 80886919
4-methoxy-N-methyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-amine
CID 80883434
2-chloro-4-methoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazine
CID 62858857
4-tert-butylsulfanyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80888350
3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 80891366
4-methoxy-6-(3-methoxypropoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80866297
(4-methoxy-6-propylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80924545
4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80890906
2-(2-methoxyethylsulfanyl)-4,6-dimethylpyrimidine
CID 4204325
6-methoxy-4-N-methyl-2-N-(2-methyl-2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine
CID 113479536
2-N-(3-ethylpentan-3-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80840573
methyl 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]propanoate
CID 80885885

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(2-methoxyethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-(2-methoxyethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine (CID 80883876) is 4-methoxy-6-(2-methoxyethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-(2-methoxyethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-(2-methoxyethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine is CNc1nc(OC)nc(SCCOC)n1.
What is the InChIKey of 4-methoxy-6-(2-methoxyethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is SLQMMUVWBZKIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-9-6-10-7(14-3)12-8(11-6)15-5-4-13-2/h4-5H2,1-3H3,(H,9,10,11,12).
What are the key properties of 4-methoxy-6-(2-methoxyethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine?
4-methoxy-6-(2-methoxyethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 230.29 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(2-methoxyethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80883876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).