5-amino-1-(2-methyl-6-methylsulfanylpyrimidin-4-yl)pyrazole-4-carboxylic acid

C10H11N5O2S — CID 66789822

IUPAC5-amino-1-(2-methyl-6-methylsulfanylpyrimidin-4-yl)pyrazole-4-carboxylic acid
SMILESCSc1cc(-n2ncc(C(=O)O)c2N)nc(C)n1
InChIInChI=1S/C10H11N5O2S/c1-5-13-7(3-8(14-5)18-2)15-9(11)6(4-12-15)10(16)17/h3-4H,11H2,1-2H3,(H,16,17)
InChIKeyISJJLTYDACVMIP-UHFFFAOYSA-N
MW265.30 g/mol
LogP0.97
Rot. Bonds3

About 5-amino-1-(2-methyl-6-methylsulfanylpyrimidin-4-yl)pyrazole-4-carboxylic acid

5-amino-1-(2-methyl-6-methylsulfanylpyrimidin-4-yl)pyrazole-4-carboxylic acid (PubChem CID 66789822) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is 5-amino-1-(2-methyl-6-methylsulfanylpyrimidin-4-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-(2-methyl-6-methylsulfanylpyrimidin-4-yl)pyrazole-4-carboxylic acid
PubChem CID66789822
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Name5-amino-1-(2-methyl-6-methylsulfanylpyrimidin-4-yl)pyrazole-4-carboxylic acid
SMILESCSc1cc(-n2ncc(C(=O)O)c2N)nc(C)n1
InChIInChI=1S/C10H11N5O2S/c1-5-13-7(3-8(14-5)18-2)15-9(11)6(4-12-15)10(16)17/h3-4H,11H2,1-2H3,(H,16,17)
InChIKeyISJJLTYDACVMIP-UHFFFAOYSA-N
XLogP0.97
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-methyl-6-methylsulfanylpyrimidin-4-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-amino-1-(2-methyl-6-methylsulfanylpyrimidin-4-yl)pyrazole-4-carboxylic acid (CID 66789822) is 5-amino-1-(2-methyl-6-methylsulfanylpyrimidin-4-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-1-(2-methyl-6-methylsulfanylpyrimidin-4-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-amino-1-(2-methyl-6-methylsulfanylpyrimidin-4-yl)pyrazole-4-carboxylic acid is CSc1cc(-n2ncc(C(=O)O)c2N)nc(C)n1.
What is the InChIKey of 5-amino-1-(2-methyl-6-methylsulfanylpyrimidin-4-yl)pyrazole-4-carboxylic acid?
The InChIKey is ISJJLTYDACVMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c1-5-13-7(3-8(14-5)18-2)15-9(11)6(4-12-15)10(16)17/h3-4H,11H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-1-(2-methyl-6-methylsulfanylpyrimidin-4-yl)pyrazole-4-carboxylic acid?
5-amino-1-(2-methyl-6-methylsulfanylpyrimidin-4-yl)pyrazole-4-carboxylic acid has a molecular weight of 265.30 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-methyl-6-methylsulfanylpyrimidin-4-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 66789822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).