4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine

C12H13N3O2S — CID 2766290

IUPAC4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine
SMILESCc1ccc(S(=O)(=O)c2cc(C)nc(N)n2)cc1
InChIInChI=1S/C12H13N3O2S/c1-8-3-5-10(6-4-8)18(16,17)11-7-9(2)14-12(13)15-11/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyXUOYIZBDMDPDEJ-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.51
Rot. Bonds2

About 4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine

4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine (PubChem CID 2766290) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine
PubChem CID2766290
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine
SMILESCc1ccc(S(=O)(=O)c2cc(C)nc(N)n2)cc1
InChIInChI=1S/C12H13N3O2S/c1-8-3-5-10(6-4-8)18(16,17)11-7-9(2)14-12(13)15-11/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyXUOYIZBDMDPDEJ-UHFFFAOYSA-N
XLogP1.51
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine (CID 2766290) is 4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine is Cc1ccc(S(=O)(=O)c2cc(C)nc(N)n2)cc1.
What is the InChIKey of 4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine?
The InChIKey is XUOYIZBDMDPDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8-3-5-10(6-4-8)18(16,17)11-7-9(2)14-12(13)15-11/h3-7H,1-2H3,(H2,13,14,15).
What are the key properties of 4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine?
4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine has a molecular weight of 263.32 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine is sourced from PubChem (CID 2766290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).