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

C12H10N4OS — CID 848938

IUPAC6-methylsulfanyl-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCSc1nc2[nH]ncc2c(=O)n1-c1ccccc1
InChIInChI=1S/C12H10N4OS/c1-18-12-14-10-9(7-13-15-10)11(17)16(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,15)
InChIKeySPHNWVPHHDWSIE-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.83
Rot. Bonds2

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

6-methylsulfanyl-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 848938) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 6-methylsulfanyl-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methylsulfanyl-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID848938
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name6-methylsulfanyl-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCSc1nc2[nH]ncc2c(=O)n1-c1ccccc1
InChIInChI=1S/C12H10N4OS/c1-18-12-14-10-9(7-13-15-10)11(17)16(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,15)
InChIKeySPHNWVPHHDWSIE-UHFFFAOYSA-N
XLogP1.83
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one
CID 3248741
6-methyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135401776
7-phenyl-3H,4H,7H-pyrazolo[3,4-d][1,2,3]triazin-4-one
CID 135423160
5-Amino-6-ethylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-one
CID 940122
5-Amino-1-phenyl-6-prop-2-enylsulfanylpyrazolo[3,4-d]pyrimidin-4-one
CID 1855852
5-Amino-1-phenyl-6-propylsulfanylpyrazolo[3,4-d]pyrimidin-4-one
CID 1983606
N-methyl-2-((4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)-N-phenylacetamide
CID 135831523
5-Amino-6-methylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-one
CID 709807
6-[(3-fluorophenyl)methylsulfanyl]-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one
CID 132261562
1-phenyl-6-propan-2-ylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135500631
Pyrazolo[3,4-d]pyrimidin-4(5H)-one, 5-allyl-6-methyl-1-phenyl-
CID 535047
5-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 706707

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-methylsulfanyl-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one (CID 848938) is 6-methylsulfanyl-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-methylsulfanyl-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-methylsulfanyl-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one is CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1.
What is the InChIKey of 6-methylsulfanyl-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SPHNWVPHHDWSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-18-12-14-10-9(7-13-15-10)11(17)16(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,15).
What are the key properties of 6-methylsulfanyl-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one?
6-methylsulfanyl-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 258.31 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 848938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).