3-(2-hydroxyethyl)-6-(4-methoxyphenyl)-2-propylsulfanyl-5H-imidazo[1,2-a]purin-9-one

C19H21N5O3S — CID 166788800

IUPAC3-(2-hydroxyethyl)-6-(4-methoxyphenyl)-2-propylsulfanyl-5H-imidazo[1,2-a]purin-9-one
SMILESCCCSc1nc2c(=O)n3cc(-c4ccc(OC)cc4)[nH]c3nc2n1CCO
InChIInChI=1S/C19H21N5O3S/c1-3-10-28-19-21-15-16(23(19)8-9-25)22-18-20-14(11-24(18)17(15)26)12-4-6-13(27-2)7-5-12/h4-7,11,25H,3,8-10H2,1-2H3,(H,20,22)
InChIKeyKEIWGLRXISVJBI-UHFFFAOYSA-N
MW399.48 g/mol
LogP2.54
Rot. Bonds7

About 3-(2-hydroxyethyl)-6-(4-methoxyphenyl)-2-propylsulfanyl-5H-imidazo[1,2-a]purin-9-one

3-(2-hydroxyethyl)-6-(4-methoxyphenyl)-2-propylsulfanyl-5H-imidazo[1,2-a]purin-9-one (PubChem CID 166788800) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-6-(4-methoxyphenyl)-2-propylsulfanyl-5H-imidazo[1,2-a]purin-9-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-6-(4-methoxyphenyl)-2-propylsulfanyl-5H-imidazo[1,2-a]purin-9-one
PubChem CID166788800
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name3-(2-hydroxyethyl)-6-(4-methoxyphenyl)-2-propylsulfanyl-5H-imidazo[1,2-a]purin-9-one
SMILESCCCSc1nc2c(=O)n3cc(-c4ccc(OC)cc4)[nH]c3nc2n1CCO
InChIInChI=1S/C19H21N5O3S/c1-3-10-28-19-21-15-16(23(19)8-9-25)22-18-20-14(11-24(18)17(15)26)12-4-6-13(27-2)7-5-12/h4-7,11,25H,3,8-10H2,1-2H3,(H,20,22)
InChIKeyKEIWGLRXISVJBI-UHFFFAOYSA-N
XLogP2.54
TPSA97.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(2-hydroxyethyl)-6-(4-methoxyphenyl)-2-propylsulfanyl-5H-imidazo[1,2-a]purin-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-hydroxyethyl)-6-phenyl-2-(2-phenylethylsulfanyl)-5H-imidazo[1,2-a]purin-9-one
CID 166788952
3-(2-hydroxyethyl)-6-phenyl-2-(4-propan-2-ylphenyl)sulfanyl-5H-imidazo[1,2-a]purin-9-one
CID 139523346
2-(4-fluorophenyl)sulfanyl-3-(2-hydroxyethyl)-6-phenyl-5H-imidazo[1,2-a]purin-9-one
CID 166788787
3-(2-hydroxyethyl)-6-phenyl-2-thiophen-2-ylsulfanyl-5H-imidazo[1,2-a]purin-9-one
CID 166788772
3-[4-hydroxy-3-(hydroxymethyl)butyl]-6-(4-methoxyphenyl)-5H-imidazo[1,2-a]purin-9-one
CID 155525804
2-(4-chlorophenyl)-3-(2-hydroxyethyl)-6-phenyl-5H-imidazo[1,2-a]purin-9-one;2-hydroxyethoxy(methoxy)phosphinothious acid;methanol
CID 176554826
3-[(6R,7S,7aS)-2,7-dihydroxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-2-propylsulfanyl-5H-imidazo[1,2-a]purin-9-one
CID 174095089
[4-[3-(2-hydroxyethoxymethyl)-9-oxo-5H-imidazo[1,2-a]purin-6-yl]phenyl] acetate
CID 513847
6-(4-methoxyphenyl)-1,5-dihydroimidazo[1,2-a]purin-9-one
CID 141173436
ethyl 1-[(4-methoxyphenyl)methyl]-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate
CID 11014195
2-amino-8-[2-(1-benzyltriazol-4-yl)ethylsulfanyl]-9-(2-hydroxyethyl)-1H-purin-6-one
CID 166788906
3-[2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine
CID 139224320

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-6-(4-methoxyphenyl)-2-propylsulfanyl-5H-imidazo[1,2-a]purin-9-one?
The IUPAC name of 3-(2-hydroxyethyl)-6-(4-methoxyphenyl)-2-propylsulfanyl-5H-imidazo[1,2-a]purin-9-one (CID 166788800) is 3-(2-hydroxyethyl)-6-(4-methoxyphenyl)-2-propylsulfanyl-5H-imidazo[1,2-a]purin-9-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-6-(4-methoxyphenyl)-2-propylsulfanyl-5H-imidazo[1,2-a]purin-9-one?
The canonical SMILES for 3-(2-hydroxyethyl)-6-(4-methoxyphenyl)-2-propylsulfanyl-5H-imidazo[1,2-a]purin-9-one is CCCSc1nc2c(=O)n3cc(-c4ccc(OC)cc4)[nH]c3nc2n1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-6-(4-methoxyphenyl)-2-propylsulfanyl-5H-imidazo[1,2-a]purin-9-one?
The InChIKey is KEIWGLRXISVJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-3-10-28-19-21-15-16(23(19)8-9-25)22-18-20-14(11-24(18)17(15)26)12-4-6-13(27-2)7-5-12/h4-7,11,25H,3,8-10H2,1-2H3,(H,20,22).
What are the key properties of 3-(2-hydroxyethyl)-6-(4-methoxyphenyl)-2-propylsulfanyl-5H-imidazo[1,2-a]purin-9-one?
3-(2-hydroxyethyl)-6-(4-methoxyphenyl)-2-propylsulfanyl-5H-imidazo[1,2-a]purin-9-one has a molecular weight of 399.48 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-6-(4-methoxyphenyl)-2-propylsulfanyl-5H-imidazo[1,2-a]purin-9-one is sourced from PubChem (CID 166788800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).