4-(benzenesulfonylmethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine

C17H22N4O2S — CID 1476659

IUPAC4-(benzenesulfonylmethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
SMILESCc1nc(CS(=O)(=O)c2ccccc2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H22N4O2S/c1-14-18-15(13-24(22,23)16-6-4-3-5-7-16)12-17(19-14)21-10-8-20(2)9-11-21/h3-7,12H,8-11,13H2,1-2H3
InChIKeyXSUMNLGLPWBEEH-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.51
Rot. Bonds4

About 4-(benzenesulfonylmethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine

4-(benzenesulfonylmethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 1476659) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 4-(benzenesulfonylmethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(benzenesulfonylmethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID1476659
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name4-(benzenesulfonylmethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
SMILESCc1nc(CS(=O)(=O)c2ccccc2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H22N4O2S/c1-14-18-15(13-24(22,23)16-6-4-3-5-7-16)12-17(19-14)21-10-8-20(2)9-11-21/h3-7,12H,8-11,13H2,1-2H3
InChIKeyXSUMNLGLPWBEEH-UHFFFAOYSA-N
XLogP1.51
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzenesulfonylmethyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine
CID 1489510
4-(benzenesulfonylmethyl)-2-(4-methylpiperazin-1-yl)aniline
CID 174440803
2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-(2-phenoxyethylsulfonyl)piperazin-1-yl]pyrimidine
CID 122341206
1-[6-(benzenesulfonylmethyl)-5-nitro-2-pyridinyl]-4-methylpiperazine
CID 58934069
N-[2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 167960205
4-[6-(benzenesulfonylmethyl)-2-(1-methylindol-5-yl)pyrimidin-4-yl]morpholine
CID 58137164
2-(2-chlorophenyl)-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122341006
8-[methyl-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]amino]quinoline-6-carboxylic acid
CID 154608467
N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-7-methylsulfonylquinolin-8-amine
CID 138501513
[2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367040
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109366887
2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine
CID 122341200

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonylmethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(benzenesulfonylmethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine (CID 1476659) is 4-(benzenesulfonylmethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(benzenesulfonylmethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(benzenesulfonylmethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine is Cc1nc(CS(=O)(=O)c2ccccc2)cc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-(benzenesulfonylmethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is XSUMNLGLPWBEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-14-18-15(13-24(22,23)16-6-4-3-5-7-16)12-17(19-14)21-10-8-20(2)9-11-21/h3-7,12H,8-11,13H2,1-2H3.
What are the key properties of 4-(benzenesulfonylmethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine?
4-(benzenesulfonylmethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 346.46 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonylmethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 1476659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).