5,7-dimethyl-2-propylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione

C10H14N4O4S — CID 46335417

IUPAC5,7-dimethyl-2-propylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESCCCS(=O)(=O)n1cc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C10H14N4O4S/c1-4-5-19(17,18)14-6-7-8(11-14)12(2)10(16)13(3)9(7)15/h6H,4-5H2,1-3H3
InChIKeyLWIJRGGPLWOMPW-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.98
Rot. Bonds3

About 5,7-dimethyl-2-propylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione

5,7-dimethyl-2-propylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione (PubChem CID 46335417) has the molecular formula C10H14N4O4S and a molecular weight of 286.31 g/mol. Its IUPAC name is 5,7-dimethyl-2-propylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name5,7-dimethyl-2-propylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione
PubChem CID46335417
Molecular FormulaC10H14N4O4S
Molecular Weight286.31 g/mol
Exact Mass286.07
IUPAC Name5,7-dimethyl-2-propylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESCCCS(=O)(=O)n1cc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C10H14N4O4S/c1-4-5-19(17,18)14-6-7-8(11-14)12(2)10(16)13(3)9(7)15/h6H,4-5H2,1-3H3
InChIKeyLWIJRGGPLWOMPW-UHFFFAOYSA-N
XLogP-0.98
TPSA95.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-propylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione?
The IUPAC name of 5,7-dimethyl-2-propylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione (CID 46335417) is 5,7-dimethyl-2-propylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 5,7-dimethyl-2-propylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 5,7-dimethyl-2-propylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione is CCCS(=O)(=O)n1cc2c(=O)n(C)c(=O)n(C)c2n1.
What is the InChIKey of 5,7-dimethyl-2-propylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione?
The InChIKey is LWIJRGGPLWOMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4S/c1-4-5-19(17,18)14-6-7-8(11-14)12(2)10(16)13(3)9(7)15/h6H,4-5H2,1-3H3.
What are the key properties of 5,7-dimethyl-2-propylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione?
5,7-dimethyl-2-propylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione has a molecular weight of 286.31 g/mol, XLogP of -0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-propylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 46335417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).