1-methyl-6-methylsulfinyl-2H-pyrazolo[3,4-d]pyrimidin-3-one

C7H8N4O2S — CID 141187631

IUPAC1-methyl-6-methylsulfinyl-2H-pyrazolo[3,4-d]pyrimidin-3-one
SMILESCn1[nH]c(=O)c2cnc(S(C)=O)nc21
InChIInChI=1S/C7H8N4O2S/c1-11-5-4(6(12)10-11)3-8-7(9-5)14(2)13/h3H,1-2H3,(H,10,12)
InChIKeyYHRUARLJJNXWLL-UHFFFAOYSA-N
MW212.23 g/mol
LogP-0.61
Rot. Bonds1

About 1-methyl-6-methylsulfinyl-2H-pyrazolo[3,4-d]pyrimidin-3-one

1-methyl-6-methylsulfinyl-2H-pyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 141187631) has the molecular formula C7H8N4O2S and a molecular weight of 212.23 g/mol. Its IUPAC name is 1-methyl-6-methylsulfinyl-2H-pyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

Compound Name1-methyl-6-methylsulfinyl-2H-pyrazolo[3,4-d]pyrimidin-3-one
PubChem CID141187631
Molecular FormulaC7H8N4O2S
Molecular Weight212.23 g/mol
Exact Mass212.04
IUPAC Name1-methyl-6-methylsulfinyl-2H-pyrazolo[3,4-d]pyrimidin-3-one
SMILESCn1[nH]c(=O)c2cnc(S(C)=O)nc21
InChIInChI=1S/C7H8N4O2S/c1-11-5-4(6(12)10-11)3-8-7(9-5)14(2)13/h3H,1-2H3,(H,10,12)
InChIKeyYHRUARLJJNXWLL-UHFFFAOYSA-N
XLogP-0.61
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-methylsulfinyl-2H-pyrazolo[3,4-d]pyrimidin-3-one?
The IUPAC name of 1-methyl-6-methylsulfinyl-2H-pyrazolo[3,4-d]pyrimidin-3-one (CID 141187631) is 1-methyl-6-methylsulfinyl-2H-pyrazolo[3,4-d]pyrimidin-3-one.
What is the SMILES notation for 1-methyl-6-methylsulfinyl-2H-pyrazolo[3,4-d]pyrimidin-3-one?
The canonical SMILES for 1-methyl-6-methylsulfinyl-2H-pyrazolo[3,4-d]pyrimidin-3-one is Cn1[nH]c(=O)c2cnc(S(C)=O)nc21.
What is the InChIKey of 1-methyl-6-methylsulfinyl-2H-pyrazolo[3,4-d]pyrimidin-3-one?
The InChIKey is YHRUARLJJNXWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2S/c1-11-5-4(6(12)10-11)3-8-7(9-5)14(2)13/h3H,1-2H3,(H,10,12).
What are the key properties of 1-methyl-6-methylsulfinyl-2H-pyrazolo[3,4-d]pyrimidin-3-one?
1-methyl-6-methylsulfinyl-2H-pyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 212.23 g/mol, XLogP of -0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-methylsulfinyl-2H-pyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 141187631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).