5-(3,4-dimethylphenyl)-6-(2-morpholin-4-ylethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one

C19H23N5O2S — CID 4128020

IUPAC5-(3,4-dimethylphenyl)-6-(2-morpholin-4-ylethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2c(SCCN3CCOCC3)nc3[nH]ncc3c2=O)cc1C
InChIInChI=1S/C19H23N5O2S/c1-13-3-4-15(11-14(13)2)24-18(25)16-12-20-22-17(16)21-19(24)27-10-7-23-5-8-26-9-6-23/h3-4,11-12H,5-10H2,1-2H3,(H,20,22)
InChIKeyYUMOQPABFCGZGS-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.15
Rot. Bonds5

About 5-(3,4-dimethylphenyl)-6-(2-morpholin-4-ylethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one

5-(3,4-dimethylphenyl)-6-(2-morpholin-4-ylethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 4128020) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-6-(2-morpholin-4-ylethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-6-(2-morpholin-4-ylethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID4128020
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name5-(3,4-dimethylphenyl)-6-(2-morpholin-4-ylethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2c(SCCN3CCOCC3)nc3[nH]ncc3c2=O)cc1C
InChIInChI=1S/C19H23N5O2S/c1-13-3-4-15(11-14(13)2)24-18(25)16-12-20-22-17(16)21-19(24)27-10-7-23-5-8-26-9-6-23/h3-4,11-12H,5-10H2,1-2H3,(H,20,22)
InChIKeyYUMOQPABFCGZGS-UHFFFAOYSA-N
XLogP2.15
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(3,4-dimethylphenyl)-6-(2-morpholin-4-ylethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

5-(4-chloro-3-methylphenyl)-6-[(2-methylphenyl)methylsulfanyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one
CID 3609695
2-[[5-(3-chloro-4-methylphenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4052814
3-[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]-1,3-oxazolidin-2-one
CID 36515010
3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 70865183
3-(4-methoxyphenyl)-5,6-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one
CID 1170085
7-chloro-3-(2-methylphenyl)-2-(2-morpholin-4-ylethylsulfanyl)quinazolin-4-one
CID 29461068
5,6-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 1170083
6-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-pentyl-3-phenylpyrimidin-4-one;hydrochloride
CID 137104146
N-(2,5-dimethylphenyl)-2-[(4-oxo-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
CID 46857415
N-(2,6-dimethylphenyl)-2-[(4-oxo-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
CID 46857416
6-hydroxy-5-(3-methylbutyl)-2-(2-morpholin-4-ylethylsulfanyl)-3-phenylpyrimidin-4-one
CID 135438914
4-[(4-oxo-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanylmethyl]benzoic acid
CID 3512349

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-6-(2-morpholin-4-ylethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(3,4-dimethylphenyl)-6-(2-morpholin-4-ylethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one (CID 4128020) is 5-(3,4-dimethylphenyl)-6-(2-morpholin-4-ylethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-6-(2-morpholin-4-ylethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(3,4-dimethylphenyl)-6-(2-morpholin-4-ylethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(-n2c(SCCN3CCOCC3)nc3[nH]ncc3c2=O)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-6-(2-morpholin-4-ylethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is YUMOQPABFCGZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-13-3-4-15(11-14(13)2)24-18(25)16-12-20-22-17(16)21-19(24)27-10-7-23-5-8-26-9-6-23/h3-4,11-12H,5-10H2,1-2H3,(H,20,22).
What are the key properties of 5-(3,4-dimethylphenyl)-6-(2-morpholin-4-ylethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one?
5-(3,4-dimethylphenyl)-6-(2-morpholin-4-ylethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 385.49 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-6-(2-morpholin-4-ylethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 4128020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).