6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine

C6H6N4S — CID 12999153

IUPAC6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine
SMILESCSc1ncc2cn[nH]c2n1
InChIInChI=1S/C6H6N4S/c1-11-6-7-2-4-3-8-10-5(4)9-6/h2-3H,1H3,(H,7,8,9,10)
InChIKeyUSZSUCXARYTYDC-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.07
Rot. Bonds1

About 6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine

6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine (PubChem CID 12999153) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is 6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine
PubChem CID12999153
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Name6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine
SMILESCSc1ncc2cn[nH]c2n1
InChIInChI=1S/C6H6N4S/c1-11-6-7-2-4-3-8-10-5(4)9-6/h2-3H,1H3,(H,7,8,9,10)
InChIKeyUSZSUCXARYTYDC-UHFFFAOYSA-N
XLogP1.07
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine (CID 12999153) is 6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine is CSc1ncc2cn[nH]c2n1.
What is the InChIKey of 6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is USZSUCXARYTYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c1-11-6-7-2-4-3-8-10-5(4)9-6/h2-3H,1H3,(H,7,8,9,10).
What are the key properties of 6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine?
6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 166.21 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 12999153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).