1-methyl-N-(4-methylsulfinylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C11H17N5OS — CID 115689354

IUPAC1-methyl-N-(4-methylsulfinylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(CCS(C)=O)Nc1ncnc2c1cnn2C
InChIInChI=1S/C11H17N5OS/c1-8(4-5-18(3)17)15-10-9-6-14-16(2)11(9)13-7-12-10/h6-8H,4-5H2,1-3H3,(H,12,13,15)
InChIKeyGROPYYGLTKERLK-UHFFFAOYSA-N
MW267.36 g/mol
LogP0.93
Rot. Bonds5

About 1-methyl-N-(4-methylsulfinylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-(4-methylsulfinylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 115689354) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-methyl-N-(4-methylsulfinylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(4-methylsulfinylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID115689354
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name1-methyl-N-(4-methylsulfinylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(CCS(C)=O)Nc1ncnc2c1cnn2C
InChIInChI=1S/C11H17N5OS/c1-8(4-5-18(3)17)15-10-9-6-14-16(2)11(9)13-7-12-10/h6-8H,4-5H2,1-3H3,(H,12,13,15)
InChIKeyGROPYYGLTKERLK-UHFFFAOYSA-N
XLogP0.93
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methylsulfinylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-(4-methylsulfinylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 115689354) is 1-methyl-N-(4-methylsulfinylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-(4-methylsulfinylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-(4-methylsulfinylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(CCS(C)=O)Nc1ncnc2c1cnn2C.
What is the InChIKey of 1-methyl-N-(4-methylsulfinylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is GROPYYGLTKERLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-8(4-5-18(3)17)15-10-9-6-14-16(2)11(9)13-7-12-10/h6-8H,4-5H2,1-3H3,(H,12,13,15).
What are the key properties of 1-methyl-N-(4-methylsulfinylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-(4-methylsulfinylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 267.36 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methylsulfinylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 115689354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).