1-(2-hydroxyethyl)-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C9H12N4O2S — CID 135402891

IUPAC1-(2-hydroxyethyl)-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCSc1nn(CCO)c2nc(C)[nH]c(=O)c12
InChIInChI=1S/C9H12N4O2S/c1-5-10-7-6(8(15)11-5)9(16-2)12-13(7)3-4-14/h14H,3-4H2,1-2H3,(H,10,11,15)
InChIKeyJYMMWQGOXNTSHA-UHFFFAOYSA-N
MW240.29 g/mol
LogP0.14
Rot. Bonds3

About 1-(2-hydroxyethyl)-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-(2-hydroxyethyl)-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135402891) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135402891
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name1-(2-hydroxyethyl)-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCSc1nn(CCO)c2nc(C)[nH]c(=O)c12
InChIInChI=1S/C9H12N4O2S/c1-5-10-7-6(8(15)11-5)9(16-2)12-13(7)3-4-14/h14H,3-4H2,1-2H3,(H,10,11,15)
InChIKeyJYMMWQGOXNTSHA-UHFFFAOYSA-N
XLogP0.14
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-butyl-6-methyl-3-(methylsulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135402889
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 4c
CID 135402890
1-Methyl-3-methylsulfanyl-5-(3,3,3-trifluoro-2-hydroxypropyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 86792571
1-methyl-3-methylsulfanyl-5-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 99777707
1-methyl-3-methylsulfanyl-5-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 99777708
1-(2-hydroxyethyl)-6-(propylthio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135731826
2-((1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
CID 135731834
6-(butylsulfanyl)-1-(2-hydroxyethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135752795
6-(ethylsulfanyl)-1-(2-hydroxyethyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135870073
6-(sec-butylthio)-1-(2-hydroxyethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135928095
3-Amino-2-(2-hydroxyethyl)-6-(1,1-dimethylethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 135702348
5-Amino-1-(2-hydroxyethyl)-3-methylsulfanylpyrazole-4-carboxamide
CID 11401662

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(2-hydroxyethyl)-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135402891) is 1-(2-hydroxyethyl)-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(2-hydroxyethyl)-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CSc1nn(CCO)c2nc(C)[nH]c(=O)c12.
What is the InChIKey of 1-(2-hydroxyethyl)-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is JYMMWQGOXNTSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-5-10-7-6(8(15)11-5)9(16-2)12-13(7)3-4-14/h14H,3-4H2,1-2H3,(H,10,11,15).
What are the key properties of 1-(2-hydroxyethyl)-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-(2-hydroxyethyl)-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 240.29 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135402891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).