6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine

C8H15N5O3S — CID 80791788

IUPAC6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NCCS(C)(=O)=O)n1
InChIInChI=1S/C8H15N5O3S/c1-3-16-8-12-6(9)11-7(13-8)10-4-5-17(2,14)15/h3-5H2,1-2H3,(H3,9,10,11,12,13)
InChIKeyMAWXIUOZGVGIDJ-UHFFFAOYSA-N
MW261.31 g/mol
LogP-0.69
Rot. Bonds6

About 6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80791788) has the molecular formula C8H15N5O3S and a molecular weight of 261.31 g/mol. Its IUPAC name is 6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80791788
Molecular FormulaC8H15N5O3S
Molecular Weight261.31 g/mol
Exact Mass261.09
IUPAC Name6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NCCS(C)(=O)=O)n1
InChIInChI=1S/C8H15N5O3S/c1-3-16-8-12-6(9)11-7(13-8)10-4-5-17(2,14)15/h3-5H2,1-2H3,(H3,9,10,11,12,13)
InChIKeyMAWXIUOZGVGIDJ-UHFFFAOYSA-N
XLogP-0.69
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethoxy-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 80812342
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772035
6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 80778104
4-N-ethyl-6-methoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80790808
6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 114174672
6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80832748
N-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 80787981
6-ethoxy-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106412361
2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethyl-N-methylacetamide
CID 114133403
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
2-N-(2-methylsulfonylethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80791674
6-ethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 103012620

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine (CID 80791788) is 6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(NCCS(C)(=O)=O)n1.
What is the InChIKey of 6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MAWXIUOZGVGIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3S/c1-3-16-8-12-6(9)11-7(13-8)10-4-5-17(2,14)15/h3-5H2,1-2H3,(H3,9,10,11,12,13).
What are the key properties of 6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 261.31 g/mol, XLogP of -0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80791788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).