6-methyl-3-methylsulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C13H12N4OS — CID 135402892

IUPAC6-methyl-3-methylsulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCSc1nn(-c2ccccc2)c2nc(C)[nH]c(=O)c12
InChIInChI=1S/C13H12N4OS/c1-8-14-11-10(12(18)15-8)13(19-2)16-17(11)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,14,15,18)
InChIKeyQTUZURWODKGINP-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.14
Rot. Bonds2

About 6-methyl-3-methylsulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-methyl-3-methylsulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135402892) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 6-methyl-3-methylsulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-methylsulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135402892
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name6-methyl-3-methylsulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCSc1nn(-c2ccccc2)c2nc(C)[nH]c(=O)c12
InChIInChI=1S/C13H12N4OS/c1-8-14-11-10(12(18)15-8)13(19-2)16-17(11)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,14,15,18)
InChIKeyQTUZURWODKGINP-UHFFFAOYSA-N
XLogP2.14
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-methylsulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-methylsulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135402892) is 6-methyl-3-methylsulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-methylsulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-methylsulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CSc1nn(-c2ccccc2)c2nc(C)[nH]c(=O)c12.
What is the InChIKey of 6-methyl-3-methylsulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is QTUZURWODKGINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-8-14-11-10(12(18)15-8)13(19-2)16-17(11)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,14,15,18).
What are the key properties of 6-methyl-3-methylsulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-methyl-3-methylsulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 272.33 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-methylsulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135402892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).