6-tert-butylsulfonyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

C11H16N4O2S — CID 2819516

IUPAC6-tert-butylsulfonyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2ncc(S(=O)(=O)C(C)(C)C)c(N)n2n1
InChIInChI=1S/C11H16N4O2S/c1-7-5-9-13-6-8(10(12)15(9)14-7)18(16,17)11(2,3)4/h5-6H,12H2,1-4H3
InChIKeyODVSVKPPVBSCJX-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.19
Rot. Bonds1

About 6-tert-butylsulfonyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

6-tert-butylsulfonyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 2819516) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID2819516
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name6-tert-butylsulfonyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2ncc(S(=O)(=O)C(C)(C)C)c(N)n2n1
InChIInChI=1S/C11H16N4O2S/c1-7-5-9-13-6-8(10(12)15(9)14-7)18(16,17)11(2,3)4/h5-6H,12H2,1-4H3
InChIKeyODVSVKPPVBSCJX-UHFFFAOYSA-N
XLogP1.19
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-tert-butylsulfonyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 2819516) is 6-tert-butylsulfonyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-tert-butylsulfonyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-tert-butylsulfonyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc2ncc(S(=O)(=O)C(C)(C)C)c(N)n2n1.
What is the InChIKey of 6-tert-butylsulfonyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ODVSVKPPVBSCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-7-5-9-13-6-8(10(12)15(9)14-7)18(16,17)11(2,3)4/h5-6H,12H2,1-4H3.
What are the key properties of 6-tert-butylsulfonyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
6-tert-butylsulfonyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 268.34 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 2819516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).