5-amino-6-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C12H11N5OS — CID 709807

IUPAC5-amino-6-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCSc1nc2c(cnn2-c2ccccc2)c(=O)n1N
InChIInChI=1S/C12H11N5OS/c1-19-12-15-10-9(11(18)16(12)13)7-14-17(10)8-5-3-2-4-6-8/h2-7H,13H2,1H3
InChIKeyHMORPDDUXGCBPB-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.02
Rot. Bonds2

About 5-amino-6-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-amino-6-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 709807) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 5-amino-6-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID709807
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name5-amino-6-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCSc1nc2c(cnn2-c2ccccc2)c(=O)n1N
InChIInChI=1S/C12H11N5OS/c1-19-12-15-10-9(11(18)16(12)13)7-14-17(10)8-5-3-2-4-6-8/h2-7H,13H2,1H3
InChIKeyHMORPDDUXGCBPB-UHFFFAOYSA-N
XLogP1.02
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-((1-(3-Chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)propanamide
CID 135398509
1H-Pyrazolo(3,4-d)pyrimidin-4-one, 4,5-dihydro-5-benzyl-1-phenyl-
CID 714182
5-Amino-1-phenyl-4-pyrazolecarboxamide
CID 1802
1,5-dihydro-1-phenyl-4H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408735
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
1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135473046
1-(3-chlorophenyl)-6-(2-hydroxyethylsulfanyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136232559
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
methyl (4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetate
CID 6620190

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-amino-6-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 709807) is 5-amino-6-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-amino-6-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is CSc1nc2c(cnn2-c2ccccc2)c(=O)n1N.
What is the InChIKey of 5-amino-6-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is HMORPDDUXGCBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-19-12-15-10-9(11(18)16(12)13)7-14-17(10)8-5-3-2-4-6-8/h2-7H,13H2,1H3.
What are the key properties of 5-amino-6-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-amino-6-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 273.32 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 709807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).