4-imidazol-1-yl-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine

C15H22N6O2S — CID 56700168

IUPAC4-imidazol-1-yl-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine
SMILESCCCS(=O)(=O)N1CCN(c2cc(-n3ccnc3)nc(C)n2)CC1
InChIInChI=1S/C15H22N6O2S/c1-3-10-24(22,23)21-8-6-19(7-9-21)14-11-15(18-13(2)17-14)20-5-4-16-12-20/h4-5,11-12H,3,6-10H2,1-2H3
InChIKeyVKPMTVYEBIVTIA-UHFFFAOYSA-N
MW350.45 g/mol
LogP0.83
Rot. Bonds5

About 4-imidazol-1-yl-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine

4-imidazol-1-yl-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine (PubChem CID 56700168) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is 4-imidazol-1-yl-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-imidazol-1-yl-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine
PubChem CID56700168
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Name4-imidazol-1-yl-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine
SMILESCCCS(=O)(=O)N1CCN(c2cc(-n3ccnc3)nc(C)n2)CC1
InChIInChI=1S/C15H22N6O2S/c1-3-10-24(22,23)21-8-6-19(7-9-21)14-11-15(18-13(2)17-14)20-5-4-16-12-20/h4-5,11-12H,3,6-10H2,1-2H3
InChIKeyVKPMTVYEBIVTIA-UHFFFAOYSA-N
XLogP0.83
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-4-(4-propylsulfonylpiperazin-1-yl)-6-pyrrol-1-ylpyrimidine
CID 71800080
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-imidazol-1-yl-2-methylpyrimidine
CID 56699356
4-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 122338679
4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-imidazol-1-yl-2-methylpyrimidine
CID 56700392
4-imidazol-1-yl-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 56700230
6-imidazol-1-yl-4-methyl-N-(1-propylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 170610864
4-[4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 50947472
N-ethyl-4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-amine
CID 50947737
4-methyl-6-(4-methylpiperazin-1-yl)-2-(4-propylsulfonylpiperazin-1-yl)pyrimidine
CID 27637479
[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 122338506
(4-chlorophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699121
2-(2-fluorophenyl)-1-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122338526

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-imidazol-1-yl-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine (CID 56700168) is 4-imidazol-1-yl-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-imidazol-1-yl-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-imidazol-1-yl-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine is CCCS(=O)(=O)N1CCN(c2cc(-n3ccnc3)nc(C)n2)CC1.
What is the InChIKey of 4-imidazol-1-yl-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine?
The InChIKey is VKPMTVYEBIVTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-3-10-24(22,23)21-8-6-19(7-9-21)14-11-15(18-13(2)17-14)20-5-4-16-12-20/h4-5,11-12H,3,6-10H2,1-2H3.
What are the key properties of 4-imidazol-1-yl-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine?
4-imidazol-1-yl-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine has a molecular weight of 350.45 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 56700168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).