2,5-dimethyl-N-(2-methylsulfonylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C11H16N4O2S — CID 56886063

IUPAC2,5-dimethyl-N-(2-methylsulfonylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCS(C)(=O)=O)n2nc(C)cc2n1
InChIInChI=1S/C11H16N4O2S/c1-8-6-10(12-4-5-18(3,16)17)15-11(13-8)7-9(2)14-15/h6-7,12H,4-5H2,1-3H3
InChIKeyWIBKHTACDHAQDK-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.80
Rot. Bonds4

About 2,5-dimethyl-N-(2-methylsulfonylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

2,5-dimethyl-N-(2-methylsulfonylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56886063) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-methylsulfonylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-methylsulfonylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56886063
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name2,5-dimethyl-N-(2-methylsulfonylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCS(C)(=O)=O)n2nc(C)cc2n1
InChIInChI=1S/C11H16N4O2S/c1-8-6-10(12-4-5-18(3,16)17)15-11(13-8)7-9(2)14-15/h6-7,12H,4-5H2,1-3H3
InChIKeyWIBKHTACDHAQDK-UHFFFAOYSA-N
XLogP0.80
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-methylsulfonylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,5-dimethyl-N-(2-methylsulfonylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 56886063) is 2,5-dimethyl-N-(2-methylsulfonylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,5-dimethyl-N-(2-methylsulfonylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,5-dimethyl-N-(2-methylsulfonylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCS(C)(=O)=O)n2nc(C)cc2n1.
What is the InChIKey of 2,5-dimethyl-N-(2-methylsulfonylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WIBKHTACDHAQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-8-6-10(12-4-5-18(3,16)17)15-11(13-8)7-9(2)14-15/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-(2-methylsulfonylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
2,5-dimethyl-N-(2-methylsulfonylethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 268.34 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-methylsulfonylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56886063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).