5,6-dimethyl-3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one

C16H23N5O3S — CID 126941142

IUPAC5,6-dimethyl-3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(S(=O)(=O)c3cn(C)cn3)CC2)c(=O)c1C
InChIInChI=1S/C16H23N5O3S/c1-12-13(2)17-11-20(16(12)22)8-14-4-6-21(7-5-14)25(23,24)15-9-19(3)10-18-15/h9-11,14H,4-8H2,1-3H3
InChIKeyUDSQWPXZDCIGNM-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.69
Rot. Bonds4

About 5,6-dimethyl-3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one

5,6-dimethyl-3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941142) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941142
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name5,6-dimethyl-3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(S(=O)(=O)c3cn(C)cn3)CC2)c(=O)c1C
InChIInChI=1S/C16H23N5O3S/c1-12-13(2)17-11-20(16(12)22)8-14-4-6-21(7-5-14)25(23,24)15-9-19(3)10-18-15/h9-11,14H,4-8H2,1-3H3
InChIKeyUDSQWPXZDCIGNM-UHFFFAOYSA-N
XLogP0.69
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one (CID 126941142) is 5,6-dimethyl-3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one is Cc1ncn(CC2CCN(S(=O)(=O)c3cn(C)cn3)CC2)c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is UDSQWPXZDCIGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-12-13(2)17-11-20(16(12)22)8-14-4-6-21(7-5-14)25(23,24)15-9-19(3)10-18-15/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 5,6-dimethyl-3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one?
5,6-dimethyl-3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 365.46 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).