(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone

C13H16N4OS — CID 74251345

IUPAC(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone
SMILESCc1cc2nc(C(=O)N3CCSCC3)cc(C)n2n1
InChIInChI=1S/C13H16N4OS/c1-9-7-12-14-11(8-10(2)17(12)15-9)13(18)16-3-5-19-6-4-16/h7-8H,3-6H2,1-2H3
InChIKeyXAFGJGASQOZHMY-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.54
Rot. Bonds1

About (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone

(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone (PubChem CID 74251345) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone
PubChem CID74251345
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone
SMILESCc1cc2nc(C(=O)N3CCSCC3)cc(C)n2n1
InChIInChI=1S/C13H16N4OS/c1-9-7-12-14-11(8-10(2)17(12)15-9)13(18)16-3-5-19-6-4-16/h7-8H,3-6H2,1-2H3
InChIKeyXAFGJGASQOZHMY-UHFFFAOYSA-N
XLogP1.54
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone (CID 74251345) is (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone is Cc1cc2nc(C(=O)N3CCSCC3)cc(C)n2n1.
What is the InChIKey of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone?
The InChIKey is XAFGJGASQOZHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9-7-12-14-11(8-10(2)17(12)15-9)13(18)16-3-5-19-6-4-16/h7-8H,3-6H2,1-2H3.
What are the key properties of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone?
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone has a molecular weight of 276.37 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 74251345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).