5-[(2R)-1-methylsulfonylpyrrolidin-2-yl]imidazo[1,2-a]pyrimidine

C11H14N4O2S — CID 124641260

IUPAC5-[(2R)-1-methylsulfonylpyrrolidin-2-yl]imidazo[1,2-a]pyrimidine
SMILESCS(=O)(=O)N1CCC[C@@H]1c1ccnc2nccn12
InChIInChI=1S/C11H14N4O2S/c1-18(16,17)15-7-2-3-10(15)9-4-5-12-11-13-6-8-14(9)11/h4-6,8,10H,2-3,7H2,1H3/t10-/m1/s1
InChIKeyNEDDLBFBXNJMNY-SNVBAGLBSA-N
MW266.33 g/mol
LogP0.83
Rot. Bonds2

About 5-[(2R)-1-methylsulfonylpyrrolidin-2-yl]imidazo[1,2-a]pyrimidine

5-[(2R)-1-methylsulfonylpyrrolidin-2-yl]imidazo[1,2-a]pyrimidine (PubChem CID 124641260) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 5-[(2R)-1-methylsulfonylpyrrolidin-2-yl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5-[(2R)-1-methylsulfonylpyrrolidin-2-yl]imidazo[1,2-a]pyrimidine
PubChem CID124641260
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name5-[(2R)-1-methylsulfonylpyrrolidin-2-yl]imidazo[1,2-a]pyrimidine
SMILESCS(=O)(=O)N1CCC[C@@H]1c1ccnc2nccn12
InChIInChI=1S/C11H14N4O2S/c1-18(16,17)15-7-2-3-10(15)9-4-5-12-11-13-6-8-14(9)11/h4-6,8,10H,2-3,7H2,1H3/t10-/m1/s1
InChIKeyNEDDLBFBXNJMNY-SNVBAGLBSA-N
XLogP0.83
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-methylsulfonylpyrrolidin-2-yl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 5-[(2R)-1-methylsulfonylpyrrolidin-2-yl]imidazo[1,2-a]pyrimidine (CID 124641260) is 5-[(2R)-1-methylsulfonylpyrrolidin-2-yl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5-[(2R)-1-methylsulfonylpyrrolidin-2-yl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5-[(2R)-1-methylsulfonylpyrrolidin-2-yl]imidazo[1,2-a]pyrimidine is CS(=O)(=O)N1CCC[C@@H]1c1ccnc2nccn12.
What is the InChIKey of 5-[(2R)-1-methylsulfonylpyrrolidin-2-yl]imidazo[1,2-a]pyrimidine?
The InChIKey is NEDDLBFBXNJMNY-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-18(16,17)15-7-2-3-10(15)9-4-5-12-11-13-6-8-14(9)11/h4-6,8,10H,2-3,7H2,1H3/t10-/m1/s1.
What are the key properties of 5-[(2R)-1-methylsulfonylpyrrolidin-2-yl]imidazo[1,2-a]pyrimidine?
5-[(2R)-1-methylsulfonylpyrrolidin-2-yl]imidazo[1,2-a]pyrimidine has a molecular weight of 266.33 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-methylsulfonylpyrrolidin-2-yl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 124641260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).