6-butan-2-ylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C11H16N4O2S — CID 135928095

IUPAC6-butan-2-ylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCC(C)Sc1nc2c(cnn2CCO)c(=O)[nH]1
InChIInChI=1S/C11H16N4O2S/c1-3-7(2)18-11-13-9-8(10(17)14-11)6-12-15(9)4-5-16/h6-7,16H,3-5H2,1-2H3,(H,13,14,17)
InChIKeyQQGXEYFVZDOZGC-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.00
Rot. Bonds5

About 6-butan-2-ylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-butan-2-ylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135928095) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 6-butan-2-ylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-butan-2-ylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135928095
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name6-butan-2-ylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCC(C)Sc1nc2c(cnn2CCO)c(=O)[nH]1
InChIInChI=1S/C11H16N4O2S/c1-3-7(2)18-11-13-9-8(10(17)14-11)6-12-15(9)4-5-16/h6-7,16H,3-5H2,1-2H3,(H,13,14,17)
InChIKeyQQGXEYFVZDOZGC-UHFFFAOYSA-N
XLogP1.00
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-butan-2-ylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydroxyethyl)-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408778
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 4d
CID 135402891
1-(2-hydroxyethyl)-6-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135408738
6-((2-(azepan-1-yl)-2-oxoethyl)thio)-1-(2-hydroxyethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135731832
1-(2-hydroxyethyl)-6-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135731833
N-cyclohexyl-2-((1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
CID 135731837
2-((1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)-N-isopropylacetamide
CID 135731855
N,N-diethyl-2-((1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
CID 135752807
1-(2-hydroxyethyl)-6-((2-oxopropyl)thio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135752864
ethyl 2-((1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)butanoate
CID 135731847
methyl 2-{[1-(2-hydroxyethyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetate
CID 135752833
2-((1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 135870113

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-ylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-butan-2-ylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135928095) is 6-butan-2-ylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-butan-2-ylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-butan-2-ylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCC(C)Sc1nc2c(cnn2CCO)c(=O)[nH]1.
What is the InChIKey of 6-butan-2-ylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is QQGXEYFVZDOZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-3-7(2)18-11-13-9-8(10(17)14-11)6-12-15(9)4-5-16/h6-7,16H,3-5H2,1-2H3,(H,13,14,17).
What are the key properties of 6-butan-2-ylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-butan-2-ylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 268.34 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-ylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135928095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).