6-(3-methylbutylsulfanyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C10H14N4OS — CID 135472839

IUPAC6-(3-methylbutylsulfanyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)CCSc1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C10H14N4OS/c1-6(2)3-4-16-10-12-8-7(5-11-14-8)9(15)13-10/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyZLHYXXYZBDEFOO-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.78
Rot. Bonds4

About 6-(3-methylbutylsulfanyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-(3-methylbutylsulfanyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135472839) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 6-(3-methylbutylsulfanyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(3-methylbutylsulfanyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135472839
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name6-(3-methylbutylsulfanyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)CCSc1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C10H14N4OS/c1-6(2)3-4-16-10-12-8-7(5-11-14-8)9(15)13-10/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyZLHYXXYZBDEFOO-UHFFFAOYSA-N
XLogP1.78
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-((4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
CID 135472838
6-(propylthio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135517169
6-(allylthio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135472830
6-Ethylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135517158
6-(2-Oxo-2-piperidin-1-ylethyl)sulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 135517184
6-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135517185
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-((4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
CID 135541122
6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 135483440
N-isopropyl-2-((4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
CID 135541124
6-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 135682068
Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-methyl-
CID 382390
N-tert-butyl-2-({4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide
CID 135472824

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutylsulfanyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(3-methylbutylsulfanyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 135472839) is 6-(3-methylbutylsulfanyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(3-methylbutylsulfanyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(3-methylbutylsulfanyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is CC(C)CCSc1nc2[nH]ncc2c(=O)[nH]1.
What is the InChIKey of 6-(3-methylbutylsulfanyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ZLHYXXYZBDEFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-6(2)3-4-16-10-12-8-7(5-11-14-8)9(15)13-10/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of 6-(3-methylbutylsulfanyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-(3-methylbutylsulfanyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 238.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutylsulfanyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135472839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).