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

C10H14N4O2S — CID 135731826

IUPAC1-(2-hydroxyethyl)-6-propylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCSc1nc2c(cnn2CCO)c(=O)[nH]1
InChIInChI=1S/C10H14N4O2S/c1-2-5-17-10-12-8-7(9(16)13-10)6-11-14(8)3-4-15/h6,15H,2-5H2,1H3,(H,12,13,16)
InChIKeyGRBBKAUHRFLPDY-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.61
Rot. Bonds5

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

1-(2-hydroxyethyl)-6-propylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135731826) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-6-propylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-6-propylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135731826
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name1-(2-hydroxyethyl)-6-propylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCSc1nc2c(cnn2CCO)c(=O)[nH]1
InChIInChI=1S/C10H14N4O2S/c1-2-5-17-10-12-8-7(9(16)13-10)6-11-14(8)3-4-15/h6,15H,2-5H2,1H3,(H,12,13,16)
InChIKeyGRBBKAUHRFLPDY-UHFFFAOYSA-N
XLogP0.61
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-Amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide
CID 223690
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-6-propylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(2-hydroxyethyl)-6-propylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135731826) is 1-(2-hydroxyethyl)-6-propylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-6-propylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(2-hydroxyethyl)-6-propylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCCSc1nc2c(cnn2CCO)c(=O)[nH]1.
What is the InChIKey of 1-(2-hydroxyethyl)-6-propylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is GRBBKAUHRFLPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-2-5-17-10-12-8-7(9(16)13-10)6-11-14(8)3-4-15/h6,15H,2-5H2,1H3,(H,12,13,16).
What are the key properties of 1-(2-hydroxyethyl)-6-propylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-(2-hydroxyethyl)-6-propylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 254.31 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-6-propylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135731826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).