6-[2-(dimethylamino)ethyl]-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione

C20H24N6O2 — CID 91901205

IUPAC6-[2-(dimethylamino)ethyl]-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione
SMILESCc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCN(C)C)cc1
InChIInChI=1S/C20H24N6O2/c1-13-6-8-14(9-7-13)15-12-26-16-17(23(4)20(28)24(5)18(16)27)21-19(26)25(15)11-10-22(2)3/h6-9,12H,10-11H2,1-5H3
InChIKeyXURYBBQRGUWUSB-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.22
Rot. Bonds4

About 6-[2-(dimethylamino)ethyl]-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione

6-[2-(dimethylamino)ethyl]-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione (PubChem CID 91901205) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl]-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl]-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione
PubChem CID91901205
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name6-[2-(dimethylamino)ethyl]-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione
SMILESCc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCN(C)C)cc1
InChIInChI=1S/C20H24N6O2/c1-13-6-8-14(9-7-13)15-12-26-16-17(23(4)20(28)24(5)18(16)27)21-19(26)25(15)11-10-22(2)3/h6-9,12H,10-11H2,1-5H3
InChIKeyXURYBBQRGUWUSB-UHFFFAOYSA-N
XLogP1.22
TPSA69.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-[3-(dimethylamino)propyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 4969814
6-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 3162690
6-(3-hydroxypropyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 3742536
6-(3-hydroxypropyl)-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 3295685
6-(3-methoxypropyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 3815397
2,4,7-trimethyl-6-[2-(4-methylanilino)ethyl]purino[7,8-a]imidazole-1,3-dione
CID 17497963
6-[2-(1-adamantyl)ethyl]-7-(4-bromophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 3343126
6-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 3738407
6-[2-(dimethylamino)ethyl]-4,7-dimethyl-2-[(2-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione
CID 16615230
6-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 1044492
6-[2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methyl]-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 16615246
6-[2-(dimethylamino)ethyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione;trimethyl-[2-(2,4,7-trimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl)ethyl]azanium
CID 160977600

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethyl]-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-[2-(dimethylamino)ethyl]-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione (CID 91901205) is 6-[2-(dimethylamino)ethyl]-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl]-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-[2-(dimethylamino)ethyl]-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione is Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCN(C)C)cc1.
What is the InChIKey of 6-[2-(dimethylamino)ethyl]-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione?
The InChIKey is XURYBBQRGUWUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-13-6-8-14(9-7-13)15-12-26-16-17(23(4)20(28)24(5)18(16)27)21-19(26)25(15)11-10-22(2)3/h6-9,12H,10-11H2,1-5H3.
What are the key properties of 6-[2-(dimethylamino)ethyl]-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione?
6-[2-(dimethylamino)ethyl]-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione has a molecular weight of 380.45 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethyl]-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 91901205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).