3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)-5H-pyrrolo[3,2-d]pyrimidin-4-one

C18H20N4O3S — CID 70865183

IUPAC3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)-5H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1c2[nH]ccc2nc(SCCN2CCOCC2)n1-c1ccc(O)cc1
InChIInChI=1S/C18H20N4O3S/c23-14-3-1-13(2-4-14)22-17(24)16-15(5-6-19-16)20-18(22)26-12-9-21-7-10-25-11-8-21/h1-6,19,23H,7-12H2
InChIKeyZWWKIYLUAGDCIQ-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.84
Rot. Bonds5

About 3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)-5H-pyrrolo[3,2-d]pyrimidin-4-one

3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)-5H-pyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 70865183) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)-5H-pyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)-5H-pyrrolo[3,2-d]pyrimidin-4-one
PubChem CID70865183
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)-5H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1c2[nH]ccc2nc(SCCN2CCOCC2)n1-c1ccc(O)cc1
InChIInChI=1S/C18H20N4O3S/c23-14-3-1-13(2-4-14)22-17(24)16-15(5-6-19-16)20-18(22)26-12-9-21-7-10-25-11-8-21/h1-6,19,23H,7-12H2
InChIKeyZWWKIYLUAGDCIQ-UHFFFAOYSA-N
XLogP1.84
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)-5H-pyrrolo[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

3-phenyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one;hydrochloride
CID 52997902
3-phenyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one
CID 1391462
6-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-pentyl-3-phenylpyrimidin-4-one;hydrochloride
CID 137104146
6-hydroxy-5-(3-methylbutyl)-2-(2-morpholin-4-ylethylsulfanyl)-3-phenylpyrimidin-4-one
CID 135438914
5-(3,4-dimethylphenyl)-6-(2-morpholin-4-ylethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one
CID 4128020
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
4-[[4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]butanenitrile
CID 59416336
N-cyclopropyl-4-[[4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]butanamide
CID 59416463
N-morpholin-4-yl-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 162647479
4-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 42736302

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)-5H-pyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)-5H-pyrrolo[3,2-d]pyrimidin-4-one (CID 70865183) is 3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)-5H-pyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)-5H-pyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)-5H-pyrrolo[3,2-d]pyrimidin-4-one is O=c1c2[nH]ccc2nc(SCCN2CCOCC2)n1-c1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)-5H-pyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is ZWWKIYLUAGDCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c23-14-3-1-13(2-4-14)22-17(24)16-15(5-6-19-16)20-18(22)26-12-9-21-7-10-25-11-8-21/h1-6,19,23H,7-12H2.
What are the key properties of 3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)-5H-pyrrolo[3,2-d]pyrimidin-4-one?
3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)-5H-pyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 372.45 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)-5H-pyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 70865183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).