2-N-methyl-6-(4-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine

C11H13N5O2S — CID 141343837

IUPAC2-N-methyl-6-(4-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N)nc(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C11H13N5O2S/c1-13-11-15-9(14-10(12)16-11)7-3-5-8(6-4-7)19(2,17)18/h3-6H,1-2H3,(H3,12,13,14,15,16)
InChIKeyHLXOXFNBFFDTFZ-UHFFFAOYSA-N
MW279.33 g/mol
LogP0.57
Rot. Bonds3

About 2-N-methyl-6-(4-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine

2-N-methyl-6-(4-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 141343837) has the molecular formula C11H13N5O2S and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-N-methyl-6-(4-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-6-(4-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID141343837
Molecular FormulaC11H13N5O2S
Molecular Weight279.33 g/mol
Exact Mass279.08
IUPAC Name2-N-methyl-6-(4-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N)nc(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C11H13N5O2S/c1-13-11-15-9(14-10(12)16-11)7-3-5-8(6-4-7)19(2,17)18/h3-6H,1-2H3,(H3,12,13,14,15,16)
InChIKeyHLXOXFNBFFDTFZ-UHFFFAOYSA-N
XLogP0.57
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-(4-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-methyl-6-(4-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine (CID 141343837) is 2-N-methyl-6-(4-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-6-(4-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-methyl-6-(4-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine is CNc1nc(N)nc(-c2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 2-N-methyl-6-(4-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HLXOXFNBFFDTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-13-11-15-9(14-10(12)16-11)7-3-5-8(6-4-7)19(2,17)18/h3-6H,1-2H3,(H3,12,13,14,15,16).
What are the key properties of 2-N-methyl-6-(4-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine?
2-N-methyl-6-(4-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 279.33 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-(4-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 141343837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).