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

C6H11N5O2S — CID 104518317

IUPAC6-(1-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(c1nc(N)nc(N)n1)S(C)(=O)=O
InChIInChI=1S/C6H11N5O2S/c1-3(14(2,12)13)4-9-5(7)11-6(8)10-4/h3H,1-2H3,(H4,7,8,9,10,11)
InChIKeyDMPKCWNXCSKVHK-UHFFFAOYSA-N
MW217.25 g/mol
LogP-0.86
Rot. Bonds2

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

6-(1-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 104518317) has the molecular formula C6H11N5O2S and a molecular weight of 217.25 g/mol. Its IUPAC name is 6-(1-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID104518317
Molecular FormulaC6H11N5O2S
Molecular Weight217.25 g/mol
Exact Mass217.06
IUPAC Name6-(1-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(c1nc(N)nc(N)n1)S(C)(=O)=O
InChIInChI=1S/C6H11N5O2S/c1-3(14(2,12)13)4-9-5(7)11-6(8)10-4/h3H,1-2H3,(H4,7,8,9,10,11)
InChIKeyDMPKCWNXCSKVHK-UHFFFAOYSA-N
XLogP-0.86
TPSA124.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine (CID 104518317) is 6-(1-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine is CC(c1nc(N)nc(N)n1)S(C)(=O)=O.
What is the InChIKey of 6-(1-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is DMPKCWNXCSKVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O2S/c1-3(14(2,12)13)4-9-5(7)11-6(8)10-4/h3H,1-2H3,(H4,7,8,9,10,11).
What are the key properties of 6-(1-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine?
6-(1-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 217.25 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 104518317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).