7-(1-methylsulfonylpiperidin-2-yl)-8H-imidazo[1,2-a]pyrimidin-5-one

C12H16N4O3S — CID 110118136

IUPAC7-(1-methylsulfonylpiperidin-2-yl)-8H-imidazo[1,2-a]pyrimidin-5-one
SMILESCS(=O)(=O)N1CCCCC1c1cc(=O)n2ccnc2[nH]1
InChIInChI=1S/C12H16N4O3S/c1-20(18,19)16-6-3-2-4-10(16)9-8-11(17)15-7-5-13-12(15)14-9/h5,7-8,10H,2-4,6H2,1H3,(H,13,14)
InChIKeyULMVUIYPTWCIMP-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.51
Rot. Bonds2

About 7-(1-methylsulfonylpiperidin-2-yl)-8H-imidazo[1,2-a]pyrimidin-5-one

7-(1-methylsulfonylpiperidin-2-yl)-8H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 110118136) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 7-(1-methylsulfonylpiperidin-2-yl)-8H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(1-methylsulfonylpiperidin-2-yl)-8H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID110118136
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name7-(1-methylsulfonylpiperidin-2-yl)-8H-imidazo[1,2-a]pyrimidin-5-one
SMILESCS(=O)(=O)N1CCCCC1c1cc(=O)n2ccnc2[nH]1
InChIInChI=1S/C12H16N4O3S/c1-20(18,19)16-6-3-2-4-10(16)9-8-11(17)15-7-5-13-12(15)14-9/h5,7-8,10H,2-4,6H2,1H3,(H,13,14)
InChIKeyULMVUIYPTWCIMP-UHFFFAOYSA-N
XLogP0.51
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(2S)-1-(2-ethoxyethyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 125017304
7-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124956145
7-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118084
7-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118205
7-[(2R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 125026892
7-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124976287
7-[(2S)-1-(1-aminocyclopentanecarbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124947088
7-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118248
7-[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124976079
7-[1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118175
5-[(2R)-1-methylsulfonylpyrrolidin-2-yl]imidazo[1,2-a]pyrimidine
CID 124641260
7-[(2R)-1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124967459

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylsulfonylpiperidin-2-yl)-8H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-(1-methylsulfonylpiperidin-2-yl)-8H-imidazo[1,2-a]pyrimidin-5-one (CID 110118136) is 7-(1-methylsulfonylpiperidin-2-yl)-8H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(1-methylsulfonylpiperidin-2-yl)-8H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(1-methylsulfonylpiperidin-2-yl)-8H-imidazo[1,2-a]pyrimidin-5-one is CS(=O)(=O)N1CCCCC1c1cc(=O)n2ccnc2[nH]1.
What is the InChIKey of 7-(1-methylsulfonylpiperidin-2-yl)-8H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is ULMVUIYPTWCIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-20(18,19)16-6-3-2-4-10(16)9-8-11(17)15-7-5-13-12(15)14-9/h5,7-8,10H,2-4,6H2,1H3,(H,13,14).
What are the key properties of 7-(1-methylsulfonylpiperidin-2-yl)-8H-imidazo[1,2-a]pyrimidin-5-one?
7-(1-methylsulfonylpiperidin-2-yl)-8H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 296.35 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylsulfonylpiperidin-2-yl)-8H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 110118136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).