4-methyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenol

C16H20N4O3S — CID 70368183

IUPAC4-methyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenol
SMILESCc1cc(N2CCN(S(=O)(=O)c3cc(O)ccc3C)CC2)ncn1
InChIInChI=1S/C16H20N4O3S/c1-12-3-4-14(21)10-15(12)24(22,23)20-7-5-19(6-8-20)16-9-13(2)17-11-18-16/h3-4,9-11,21H,5-8H2,1-2H3
InChIKeyNYJDJPLCSKNXGE-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.31
Rot. Bonds3

About 4-methyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenol

4-methyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenol (PubChem CID 70368183) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-methyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenol.

Molecular Properties

Compound Name4-methyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenol
PubChem CID70368183
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name4-methyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenol
SMILESCc1cc(N2CCN(S(=O)(=O)c3cc(O)ccc3C)CC2)ncn1
InChIInChI=1S/C16H20N4O3S/c1-12-3-4-14(21)10-15(12)24(22,23)20-7-5-19(6-8-20)16-9-13(2)17-11-18-16/h3-4,9-11,21H,5-8H2,1-2H3
InChIKeyNYJDJPLCSKNXGE-UHFFFAOYSA-N
XLogP1.31
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
CID 108781297
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921727
4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343590
4-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzoic acid
CID 108781305
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine
CID 121072481
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
CID 108781304
N-[4-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 108781295
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121072487
4-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343397
4-(4-fluorophenyl)-6-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121107488
4-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 44826823
4-[4-(4-chloro-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine
CID 90517059

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenol?
The IUPAC name of 4-methyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenol (CID 70368183) is 4-methyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenol.
What is the SMILES notation for 4-methyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenol?
The canonical SMILES for 4-methyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenol is Cc1cc(N2CCN(S(=O)(=O)c3cc(O)ccc3C)CC2)ncn1.
What is the InChIKey of 4-methyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenol?
The InChIKey is NYJDJPLCSKNXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-12-3-4-14(21)10-15(12)24(22,23)20-7-5-19(6-8-20)16-9-13(2)17-11-18-16/h3-4,9-11,21H,5-8H2,1-2H3.
What are the key properties of 4-methyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenol?
4-methyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenol has a molecular weight of 348.43 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenol is sourced from PubChem (CID 70368183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).