5-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine

C11H9N5OS — CID 169291422

IUPAC5-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESCS(=O)c1nccc(-c2ccn3nccc3n2)n1
InChIInChI=1S/C11H9N5OS/c1-18(17)11-12-5-2-8(15-11)9-4-7-16-10(14-9)3-6-13-16/h2-7H,1H3
InChIKeyNTPCGXAYKKXKRI-UHFFFAOYSA-N
MW259.29 g/mol
LogP0.92
Rot. Bonds2

About 5-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine

5-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 169291422) has the molecular formula C11H9N5OS and a molecular weight of 259.29 g/mol. Its IUPAC name is 5-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID169291422
Molecular FormulaC11H9N5OS
Molecular Weight259.29 g/mol
Exact Mass259.05
IUPAC Name5-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESCS(=O)c1nccc(-c2ccn3nccc3n2)n1
InChIInChI=1S/C11H9N5OS/c1-18(17)11-12-5-2-8(15-11)9-4-7-16-10(14-9)3-6-13-16/h2-7H,1H3
InChIKeyNTPCGXAYKKXKRI-UHFFFAOYSA-N
XLogP0.92
TPSA73.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine (CID 169291422) is 5-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine is CS(=O)c1nccc(-c2ccn3nccc3n2)n1.
What is the InChIKey of 5-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is NTPCGXAYKKXKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5OS/c1-18(17)11-12-5-2-8(15-11)9-4-7-16-10(14-9)3-6-13-16/h2-7H,1H3.
What are the key properties of 5-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine?
5-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 259.29 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 169291422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).