3-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C12H11N5OS — CID 169291385

IUPAC3-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCSc1nccc(-c2cc(=O)n3[nH]cc(C)c3n2)n1
InChIInChI=1S/C12H11N5OS/c1-7-6-14-17-10(18)5-9(15-11(7)17)8-3-4-13-12(16-8)19-2/h3-6,14H,1-2H3
InChIKeyYJDAQXKYBQMXDT-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.51
Rot. Bonds2

About 3-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 169291385) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID169291385
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name3-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCSc1nccc(-c2cc(=O)n3[nH]cc(C)c3n2)n1
InChIInChI=1S/C12H11N5OS/c1-7-6-14-17-10(18)5-9(15-11(7)17)8-3-4-13-12(16-8)19-2/h3-6,14H,1-2H3
InChIKeyYJDAQXKYBQMXDT-UHFFFAOYSA-N
XLogP1.51
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 169291385) is 3-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CSc1nccc(-c2cc(=O)n3[nH]cc(C)c3n2)n1.
What is the InChIKey of 3-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YJDAQXKYBQMXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-7-6-14-17-10(18)5-9(15-11(7)17)8-3-4-13-12(16-8)19-2/h3-6,14H,1-2H3.
What are the key properties of 3-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 273.32 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 169291385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).