6-[2-(diethylamino)ethyl]-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione

C20H24N6O2 — CID 4970666

IUPAC6-[2-(diethylamino)ethyl]-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
SMILESCCN(CC)CCn1c(-c2ccccc2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12
InChIInChI=1S/C20H24N6O2/c1-4-24(5-2)11-12-25-15(14-9-7-6-8-10-14)13-26-16-17(21-19(25)26)23(3)20(28)22-18(16)27/h6-10,13H,4-5,11-12H2,1-3H3,(H,22,27,28)
InChIKeyOOPXNCIOHPTUQH-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.68
Rot. Bonds6

About 6-[2-(diethylamino)ethyl]-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione

6-[2-(diethylamino)ethyl]-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 4970666) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 6-[2-(diethylamino)ethyl]-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-[2-(diethylamino)ethyl]-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
PubChem CID4970666
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name6-[2-(diethylamino)ethyl]-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
SMILESCCN(CC)CCn1c(-c2ccccc2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12
InChIInChI=1S/C20H24N6O2/c1-4-24(5-2)11-12-25-15(14-9-7-6-8-10-14)13-26-16-17(21-19(25)26)23(3)20(28)22-18(16)27/h6-10,13H,4-5,11-12H2,1-3H3,(H,22,27,28)
InChIKeyOOPXNCIOHPTUQH-UHFFFAOYSA-N
XLogP1.68
TPSA80.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[2-(diethylamino)ethyl]-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione with MolForge

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Related Compounds

6-hexyl-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 91901187
6-(4-butylphenyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 16623802
6-(3-chlorophenyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 4894417
6-(5-chloro-2-methylphenyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 16623828
6-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 3162690
6-[(2-chlorophenyl)methyl]-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 4895297
6-[2-(diethylamino)ethyl]-4,7-dimethyl-2-(2-phenylethyl)purino[7,8-a]imidazole-1,3-dione
CID 16615248
4-benzyl-7-[4-(butylamino)phenyl]-6-(4-hydroxybutyl)purino[7,8-a]imidazole-1,3-dione;ethane
CID 143836700
6-(3-hydroxypropyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 3742536
7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-phenylpurine-2,6-dione;hydrochloride
CID 70577095
6-[2-(4-ethylpiperazin-1-yl)ethyl]-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 16812228
6-(2-hydroxyphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 4886508

Frequently Asked Questions

What is the IUPAC name of 6-[2-(diethylamino)ethyl]-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-[2-(diethylamino)ethyl]-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione (CID 4970666) is 6-[2-(diethylamino)ethyl]-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-[2-(diethylamino)ethyl]-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-[2-(diethylamino)ethyl]-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione is CCN(CC)CCn1c(-c2ccccc2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12.
What is the InChIKey of 6-[2-(diethylamino)ethyl]-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is OOPXNCIOHPTUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-4-24(5-2)11-12-25-15(14-9-7-6-8-10-14)13-26-16-17(21-19(25)26)23(3)20(28)22-18(16)27/h6-10,13H,4-5,11-12H2,1-3H3,(H,22,27,28).
What are the key properties of 6-[2-(diethylamino)ethyl]-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?
6-[2-(diethylamino)ethyl]-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 380.45 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(diethylamino)ethyl]-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 4970666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).