2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylethanesulfonamide

C11H17N5O2S — CID 70757443

IUPAC2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1cc(C)nc2cc(C)nn12
InChIInChI=1S/C11H17N5O2S/c1-8-6-10(13-4-5-19(17,18)12-3)16-11(14-8)7-9(2)15-16/h6-7,12-13H,4-5H2,1-3H3
InChIKeyAHPOWHIHTWBRTB-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.31
Rot. Bonds5

About 2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylethanesulfonamide

2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylethanesulfonamide (PubChem CID 70757443) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylethanesulfonamide
PubChem CID70757443
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1cc(C)nc2cc(C)nn12
InChIInChI=1S/C11H17N5O2S/c1-8-6-10(13-4-5-19(17,18)12-3)16-11(14-8)7-9(2)15-16/h6-7,12-13H,4-5H2,1-3H3
InChIKeyAHPOWHIHTWBRTB-UHFFFAOYSA-N
XLogP0.31
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylethanesulfonamide (CID 70757443) is 2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1cc(C)nc2cc(C)nn12.
What is the InChIKey of 2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylethanesulfonamide?
The InChIKey is AHPOWHIHTWBRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-8-6-10(13-4-5-19(17,18)12-3)16-11(14-8)7-9(2)15-16/h6-7,12-13H,4-5H2,1-3H3.
What are the key properties of 2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylethanesulfonamide?
2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylethanesulfonamide has a molecular weight of 283.36 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 70757443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).