2-(4-butylsulfonylpiperazin-1-yl)pyrimidine

C12H20N4O2S — CID 6466592

IUPAC2-(4-butylsulfonylpiperazin-1-yl)pyrimidine
SMILESCCCCS(=O)(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H20N4O2S/c1-2-3-11-19(17,18)16-9-7-15(8-10-16)12-13-5-4-6-14-12/h4-6H,2-3,7-11H2,1H3
InChIKeyJZYXFBSJDFWNEK-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.73
Rot. Bonds5

About 2-(4-butylsulfonylpiperazin-1-yl)pyrimidine

2-(4-butylsulfonylpiperazin-1-yl)pyrimidine (PubChem CID 6466592) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(4-butylsulfonylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(4-butylsulfonylpiperazin-1-yl)pyrimidine
PubChem CID6466592
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-(4-butylsulfonylpiperazin-1-yl)pyrimidine
SMILESCCCCS(=O)(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H20N4O2S/c1-2-3-11-19(17,18)16-9-7-15(8-10-16)12-13-5-4-6-14-12/h4-6H,2-3,7-11H2,1H3
InChIKeyJZYXFBSJDFWNEK-UHFFFAOYSA-N
XLogP0.73
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(4-pentylsulfonylpiperazin-1-yl)pyrimidine
CID 133309853
4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 70703503
1-butylsulfonyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine
CID 90507644
1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine
CID 113079193
2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42440195
1-[6-(4-butylsulfonylpiperazin-1-yl)pyridazin-3-yl]azepane
CID 121053116
4-pyrimidin-2-ylpiperazine-1-sulfonic acid
CID 142758234
2-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 47371249
1-(1H-imidazol-2-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropane-1-thiol
CID 57123655
6-butylsulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 121191202
3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42440229
3,3-diphenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42439713

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylsulfonylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-(4-butylsulfonylpiperazin-1-yl)pyrimidine (CID 6466592) is 2-(4-butylsulfonylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-(4-butylsulfonylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-(4-butylsulfonylpiperazin-1-yl)pyrimidine is CCCCS(=O)(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(4-butylsulfonylpiperazin-1-yl)pyrimidine?
The InChIKey is JZYXFBSJDFWNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-2-3-11-19(17,18)16-9-7-15(8-10-16)12-13-5-4-6-14-12/h4-6H,2-3,7-11H2,1H3.
What are the key properties of 2-(4-butylsulfonylpiperazin-1-yl)pyrimidine?
2-(4-butylsulfonylpiperazin-1-yl)pyrimidine has a molecular weight of 284.38 g/mol, XLogP of 0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylsulfonylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 6466592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).