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

C8H14N4O3S2 — CID 80883434

IUPAC4-methoxy-N-methyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(SCCS(C)(=O)=O)n1
InChIInChI=1S/C8H14N4O3S2/c1-9-6-10-7(15-2)12-8(11-6)16-4-5-17(3,13)14/h4-5H2,1-3H3,(H,9,10,11,12)
InChIKeyIOGHFMSDTIOOIJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.06
Rot. Bonds6

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

4-methoxy-N-methyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 80883434) has the molecular formula C8H14N4O3S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-methoxy-N-methyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID80883434
Molecular FormulaC8H14N4O3S2
Molecular Weight278.36 g/mol
Exact Mass278.05
IUPAC Name4-methoxy-N-methyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(SCCS(C)(=O)=O)n1
InChIInChI=1S/C8H14N4O3S2/c1-9-6-10-7(15-2)12-8(11-6)16-4-5-17(3,13)14/h4-5H2,1-3H3,(H,9,10,11,12)
InChIKeyIOGHFMSDTIOOIJ-UHFFFAOYSA-N
XLogP0.06
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-N-methyl-6-propylsulfanyl-1,3,5-triazin-2-amine
CID 80886919
4-methoxy-6-(2-methoxyethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
CID 80883876
[4-ethoxy-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80930656
N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80881867
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
methyl 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]propanoate
CID 80885885
(4-methoxy-6-propylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80924545
4-N-ethyl-6-methoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80790808
2-N,2-N-dimethyl-6-(2-methylsulfonylethylsulfanyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80882836
N-methyl-6-(2-methylsulfonylethylsulfanyl)pyridin-2-amine
CID 80883727
2-N-(3-ethylpentan-3-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80840573

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-N-methyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-amine (CID 80883434) is 4-methoxy-N-methyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-N-methyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-N-methyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-amine is CNc1nc(OC)nc(SCCS(C)(=O)=O)n1.
What is the InChIKey of 4-methoxy-N-methyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is IOGHFMSDTIOOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S2/c1-9-6-10-7(15-2)12-8(11-6)16-4-5-17(3,13)14/h4-5H2,1-3H3,(H,9,10,11,12).
What are the key properties of 4-methoxy-N-methyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-amine?
4-methoxy-N-methyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80883434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).