2-propan-2-ylimidazo[1,2-a]pyrimidine-3-sulfonyl chloride

C9H10ClN3O2S — CID 141336142

IUPAC2-propan-2-ylimidazo[1,2-a]pyrimidine-3-sulfonyl chloride
SMILESCC(C)c1nc2ncccn2c1S(=O)(=O)Cl
InChIInChI=1S/C9H10ClN3O2S/c1-6(2)7-8(16(10,14)15)13-5-3-4-11-9(13)12-7/h3-6H,1-2H3
InChIKeyASGFYWADHLGDED-UHFFFAOYSA-N
MW259.72 g/mol
LogP1.78
Rot. Bonds2

About 2-propan-2-ylimidazo[1,2-a]pyrimidine-3-sulfonyl chloride

2-propan-2-ylimidazo[1,2-a]pyrimidine-3-sulfonyl chloride (PubChem CID 141336142) has the molecular formula C9H10ClN3O2S and a molecular weight of 259.72 g/mol. Its IUPAC name is 2-propan-2-ylimidazo[1,2-a]pyrimidine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-propan-2-ylimidazo[1,2-a]pyrimidine-3-sulfonyl chloride
PubChem CID141336142
Molecular FormulaC9H10ClN3O2S
Molecular Weight259.72 g/mol
Exact Mass259.02
IUPAC Name2-propan-2-ylimidazo[1,2-a]pyrimidine-3-sulfonyl chloride
SMILESCC(C)c1nc2ncccn2c1S(=O)(=O)Cl
InChIInChI=1S/C9H10ClN3O2S/c1-6(2)7-8(16(10,14)15)13-5-3-4-11-9(13)12-7/h3-6H,1-2H3
InChIKeyASGFYWADHLGDED-UHFFFAOYSA-N
XLogP1.78
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.72
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylimidazo[1,2-a]pyrimidine-3-sulfonyl chloride?
The IUPAC name of 2-propan-2-ylimidazo[1,2-a]pyrimidine-3-sulfonyl chloride (CID 141336142) is 2-propan-2-ylimidazo[1,2-a]pyrimidine-3-sulfonyl chloride.
What is the SMILES notation for 2-propan-2-ylimidazo[1,2-a]pyrimidine-3-sulfonyl chloride?
The canonical SMILES for 2-propan-2-ylimidazo[1,2-a]pyrimidine-3-sulfonyl chloride is CC(C)c1nc2ncccn2c1S(=O)(=O)Cl.
What is the InChIKey of 2-propan-2-ylimidazo[1,2-a]pyrimidine-3-sulfonyl chloride?
The InChIKey is ASGFYWADHLGDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2S/c1-6(2)7-8(16(10,14)15)13-5-3-4-11-9(13)12-7/h3-6H,1-2H3.
What are the key properties of 2-propan-2-ylimidazo[1,2-a]pyrimidine-3-sulfonyl chloride?
2-propan-2-ylimidazo[1,2-a]pyrimidine-3-sulfonyl chloride has a molecular weight of 259.72 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylimidazo[1,2-a]pyrimidine-3-sulfonyl chloride is sourced from PubChem (CID 141336142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).