4-methyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine

C7H12N4O2S — CID 116633635

IUPAC4-methyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(C(C)S(C)(=O)=O)n1
InChIInChI=1S/C7H12N4O2S/c1-4(14(3,12)13)6-9-5(2)10-7(8)11-6/h4H,1-3H3,(H2,8,9,10,11)
InChIKeyKKKARRUEMFYUPY-UHFFFAOYSA-N
MW216.27 g/mol
LogP-0.13
Rot. Bonds2

About 4-methyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine

4-methyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine (PubChem CID 116633635) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is 4-methyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine
PubChem CID116633635
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC Name4-methyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(C(C)S(C)(=O)=O)n1
InChIInChI=1S/C7H12N4O2S/c1-4(14(3,12)13)6-9-5(2)10-7(8)11-6/h4H,1-3H3,(H2,8,9,10,11)
InChIKeyKKKARRUEMFYUPY-UHFFFAOYSA-N
XLogP-0.13
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine (CID 116633635) is 4-methyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine is Cc1nc(N)nc(C(C)S(C)(=O)=O)n1.
What is the InChIKey of 4-methyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine?
The InChIKey is KKKARRUEMFYUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S/c1-4(14(3,12)13)6-9-5(2)10-7(8)11-6/h4H,1-3H3,(H2,8,9,10,11).
What are the key properties of 4-methyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine?
4-methyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine has a molecular weight of 216.27 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 116633635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).