3-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one

C17H25N5O3S — CID 126941146

IUPAC3-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CC2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c(=O)c1C
InChIInChI=1S/C17H25N5O3S/c1-12-13(2)18-11-21(17(12)23)9-15-5-7-22(8-6-15)26(24,25)16-10-20(4)14(3)19-16/h10-11,15H,5-9H2,1-4H3
InChIKeyIAPLXEJRXLTSBM-UHFFFAOYSA-N
MW379.49 g/mol
LogP1.00
Rot. Bonds4

About 3-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one

3-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one (PubChem CID 126941146) has the molecular formula C17H25N5O3S and a molecular weight of 379.49 g/mol. Its IUPAC name is 3-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
PubChem CID126941146
Molecular FormulaC17H25N5O3S
Molecular Weight379.49 g/mol
Exact Mass379.17
IUPAC Name3-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CC2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c(=O)c1C
InChIInChI=1S/C17H25N5O3S/c1-12-13(2)18-11-21(17(12)23)9-15-5-7-22(8-6-15)26(24,25)16-10-20(4)14(3)19-16/h10-11,15H,5-9H2,1-4H3
InChIKeyIAPLXEJRXLTSBM-UHFFFAOYSA-N
XLogP1.00
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one (CID 126941146) is 3-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one is Cc1ncn(CC2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c(=O)c1C.
What is the InChIKey of 3-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The InChIKey is IAPLXEJRXLTSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S/c1-12-13(2)18-11-21(17(12)23)9-15-5-7-22(8-6-15)26(24,25)16-10-20(4)14(3)19-16/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 3-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
3-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one has a molecular weight of 379.49 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 126941146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).