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

C7H13N5O2S — CID 112681369

IUPAC6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(c1nc(N)nc(N)n1)S(C)(=O)=O
InChIInChI=1S/C7H13N5O2S/c1-7(2,15(3,13)14)4-10-5(8)12-6(9)11-4/h1-3H3,(H4,8,9,10,11,12)
InChIKeyUXOINDWBSFKLTK-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.68
Rot. Bonds2

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

6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 112681369) has the molecular formula C7H13N5O2S and a molecular weight of 231.28 g/mol. Its IUPAC name is 6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID112681369
Molecular FormulaC7H13N5O2S
Molecular Weight231.28 g/mol
Exact Mass231.08
IUPAC Name6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(c1nc(N)nc(N)n1)S(C)(=O)=O
InChIInChI=1S/C7H13N5O2S/c1-7(2,15(3,13)14)4-10-5(8)12-6(9)11-4/h1-3H3,(H4,8,9,10,11,12)
InChIKeyUXOINDWBSFKLTK-UHFFFAOYSA-N
XLogP-0.68
TPSA124.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 112681369) is 6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazine-2,4-diamine is CC(C)(c1nc(N)nc(N)n1)S(C)(=O)=O.
What is the InChIKey of 6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UXOINDWBSFKLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2S/c1-7(2,15(3,13)14)4-10-5(8)12-6(9)11-4/h1-3H3,(H4,8,9,10,11,12).
What are the key properties of 6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 231.28 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112681369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).