1-methyl-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine

C7H9N5S — CID 131107177

IUPAC1-methyl-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCSc1nn(C)c2ncnc(N)c12
InChIInChI=1S/C7H9N5S/c1-12-6-4(7(11-12)13-2)5(8)9-3-10-6/h3H,1-2H3,(H2,8,9,10)
InChIKeyCKMCDBXCFBHMIU-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.67
Rot. Bonds1

About 1-methyl-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 131107177) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is 1-methyl-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID131107177
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC Name1-methyl-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCSc1nn(C)c2ncnc(N)c12
InChIInChI=1S/C7H9N5S/c1-12-6-4(7(11-12)13-2)5(8)9-3-10-6/h3H,1-2H3,(H2,8,9,10)
InChIKeyCKMCDBXCFBHMIU-UHFFFAOYSA-N
XLogP0.67
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 159575581
CID 159575581
3-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57350721
3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol
CID 58269140
3-(4-amino-2-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 139559153
1-methyl-3-N-phenylpyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 155613690
3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58269199
5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-bromophenol
CID 24905331
3-(2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 66580503
3-(4-amino-2-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 139562099
1-methyl-3-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 58269223
3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58269174
3-(4-ethoxy-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 166787512

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine (CID 131107177) is 1-methyl-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine is CSc1nn(C)c2ncnc(N)c12.
What is the InChIKey of 1-methyl-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CKMCDBXCFBHMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S/c1-12-6-4(7(11-12)13-2)5(8)9-3-10-6/h3H,1-2H3,(H2,8,9,10).
What are the key properties of 1-methyl-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 195.25 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 131107177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).