6-(5-chloro-2-methoxyphenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione

C22H25ClN6O4 — CID 16615260

IUPAC6-(5-chloro-2-methoxyphenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
SMILESCOc1ccc(Cl)cc1-n1c(C)cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc12
InChIInChI=1S/C22H25ClN6O4/c1-14-13-28-18-19(24-21(28)29(14)16-12-15(23)4-5-17(16)32-3)25(2)22(31)27(20(18)30)7-6-26-8-10-33-11-9-26/h4-5,12-13H,6-11H2,1-3H3
InChIKeySVXUGRNBOONDLD-UHFFFAOYSA-N
MW472.93 g/mol
LogP1.44
Rot. Bonds5

About 6-(5-chloro-2-methoxyphenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione

6-(5-chloro-2-methoxyphenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione (PubChem CID 16615260) has the molecular formula C22H25ClN6O4 and a molecular weight of 472.93 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyphenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyphenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
PubChem CID16615260
Molecular FormulaC22H25ClN6O4
Molecular Weight472.93 g/mol
Exact Mass472.16
IUPAC Name6-(5-chloro-2-methoxyphenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
SMILESCOc1ccc(Cl)cc1-n1c(C)cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc12
InChIInChI=1S/C22H25ClN6O4/c1-14-13-28-18-19(24-21(28)29(14)16-12-15(23)4-5-17(16)32-3)25(2)22(31)27(20(18)30)7-6-26-8-10-33-11-9-26/h4-5,12-13H,6-11H2,1-3H3
InChIKeySVXUGRNBOONDLD-UHFFFAOYSA-N
XLogP1.44
TPSA87.93 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.93
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

6-(2,5-dimethoxyphenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
CID 16626567
6-(2-fluorophenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
CID 6462558
6-(4-methoxyphenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
CID 4891036
6-(3-chloro-2-methylphenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
CID 16614312
6-(2,4-dimethoxyphenyl)-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione
CID 4859138
4,6,7-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
CID 16810086
6-(2,5-dimethoxyphenyl)-4,7-dimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
CID 3163018
2-ethyl-6-(2-methoxyphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 16797995
6-(5-chloro-2-methoxyphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 4971517
6-(5-chloro-2-methoxyphenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 82018390
ethyl 3-[6-(2-methoxy-5-methylphenyl)-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]propanoate
CID 16626084
2-[(2,6-dichlorophenyl)methyl]-4,7-dimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
CID 16811884

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyphenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-(5-chloro-2-methoxyphenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione (CID 16615260) is 6-(5-chloro-2-methoxyphenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-(5-chloro-2-methoxyphenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-(5-chloro-2-methoxyphenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione is COc1ccc(Cl)cc1-n1c(C)cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc12.
What is the InChIKey of 6-(5-chloro-2-methoxyphenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione?
The InChIKey is SVXUGRNBOONDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O4/c1-14-13-28-18-19(24-21(28)29(14)16-12-15(23)4-5-17(16)32-3)25(2)22(31)27(20(18)30)7-6-26-8-10-33-11-9-26/h4-5,12-13H,6-11H2,1-3H3.
What are the key properties of 6-(5-chloro-2-methoxyphenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione?
6-(5-chloro-2-methoxyphenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione has a molecular weight of 472.93 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyphenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 16615260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).