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

C10H12N4O3S — CID 135752864

IUPAC1-(2-hydroxyethyl)-6-(2-oxopropylsulfanyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(=O)CSc1nc2c(cnn2CCO)c(=O)[nH]1
InChIInChI=1S/C10H12N4O3S/c1-6(16)5-18-10-12-8-7(9(17)13-10)4-11-14(8)2-3-15/h4,15H,2-3,5H2,1H3,(H,12,13,17)
InChIKeyOZQNHVYQXLKQNQ-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.21
Rot. Bonds5

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

1-(2-hydroxyethyl)-6-(2-oxopropylsulfanyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135752864) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-6-(2-oxopropylsulfanyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-6-(2-oxopropylsulfanyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135752864
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Name1-(2-hydroxyethyl)-6-(2-oxopropylsulfanyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(=O)CSc1nc2c(cnn2CCO)c(=O)[nH]1
InChIInChI=1S/C10H12N4O3S/c1-6(16)5-18-10-12-8-7(9(17)13-10)4-11-14(8)2-3-15/h4,15H,2-3,5H2,1H3,(H,12,13,17)
InChIKeyOZQNHVYQXLKQNQ-UHFFFAOYSA-N
XLogP-0.21
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135752886
1-(2-hydroxyethyl)-6-[(1R)-1-phenylethyl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135752820
6-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135752824
2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 135870110
N-(3,4-dimethoxyphenyl)-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide
CID 135870097
ethyl 2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]butanoate
CID 135731847
6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135752881
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135616941
N,N-dimethyl-2-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
CID 135697638
6-(3,3-dimethyl-2-oxobutyl)sulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135813345
2-[[1-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetic acid
CID 135473768
2-[[1-(2-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide
CID 136637770

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-6-(2-oxopropylsulfanyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(2-hydroxyethyl)-6-(2-oxopropylsulfanyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135752864) is 1-(2-hydroxyethyl)-6-(2-oxopropylsulfanyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-6-(2-oxopropylsulfanyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(2-hydroxyethyl)-6-(2-oxopropylsulfanyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(=O)CSc1nc2c(cnn2CCO)c(=O)[nH]1.
What is the InChIKey of 1-(2-hydroxyethyl)-6-(2-oxopropylsulfanyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OZQNHVYQXLKQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-6(16)5-18-10-12-8-7(9(17)13-10)4-11-14(8)2-3-15/h4,15H,2-3,5H2,1H3,(H,12,13,17).
What are the key properties of 1-(2-hydroxyethyl)-6-(2-oxopropylsulfanyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-(2-hydroxyethyl)-6-(2-oxopropylsulfanyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 268.30 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-6-(2-oxopropylsulfanyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135752864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).