1-benzyl-7-[2-(dimethylamino)ethyl]-4,6-dimethylimidazo[1,2-a]purin-9-one

C20H24N6O — CID 100948940

IUPAC1-benzyl-7-[2-(dimethylamino)ethyl]-4,6-dimethylimidazo[1,2-a]purin-9-one
SMILESCc1nc2n(C)c3ncn(Cc4ccccc4)c3c(=O)n2c1CCN(C)C
InChIInChI=1S/C20H24N6O/c1-14-16(10-11-23(2)3)26-19(27)17-18(24(4)20(26)22-14)21-13-25(17)12-15-8-6-5-7-9-15/h5-9,13H,10-12H2,1-4H3
InChIKeyLBZPPOVOLVBUPN-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.84
Rot. Bonds5

About 1-benzyl-7-[2-(dimethylamino)ethyl]-4,6-dimethylimidazo[1,2-a]purin-9-one

1-benzyl-7-[2-(dimethylamino)ethyl]-4,6-dimethylimidazo[1,2-a]purin-9-one (PubChem CID 100948940) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-benzyl-7-[2-(dimethylamino)ethyl]-4,6-dimethylimidazo[1,2-a]purin-9-one.

Molecular Properties

Compound Name1-benzyl-7-[2-(dimethylamino)ethyl]-4,6-dimethylimidazo[1,2-a]purin-9-one
PubChem CID100948940
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name1-benzyl-7-[2-(dimethylamino)ethyl]-4,6-dimethylimidazo[1,2-a]purin-9-one
SMILESCc1nc2n(C)c3ncn(Cc4ccccc4)c3c(=O)n2c1CCN(C)C
InChIInChI=1S/C20H24N6O/c1-14-16(10-11-23(2)3)26-19(27)17-18(24(4)20(26)22-14)21-13-25(17)12-15-8-6-5-7-9-15/h5-9,13H,10-12H2,1-4H3
InChIKeyLBZPPOVOLVBUPN-UHFFFAOYSA-N
XLogP1.84
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(1-benzyl-4-methyl-9-oxoimidazo[1,2-a]purin-7-yl)-2-oxoacetate
CID 10570836
7-benzyl-1-bromo-3-methylpurine-2,6-dione
CID 141307153
7-benzyl-1-methyl-3-(2-methylpropyl)purine-2,6-dione
CID 3041753
7-benzyl-3-butan-2-yl-1-methylpurine-2,6-dione
CID 11544137
3-benzyl-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 59823050
3-amino-5-benzyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 110171162
2-(3,7-dibenzyl-2,6-dioxopurin-1-yl)-N-(2-hydroxyethyl)-N-methylacetamide
CID 112817918
3-benzyl-5-bromo-6-methylpyrimidin-4-one
CID 66308961
7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
CID 706880
7-benzyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-methylpurine-2,6-dione
CID 1272641
7-benzyl-1-(5-hydroxyhexyl)-3-methylpurine-2,6-dione;ethane
CID 142022461
3-benzyl-6-methyl-5-propan-2-ylpyrimidin-4-one
CID 141080903

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-[2-(dimethylamino)ethyl]-4,6-dimethylimidazo[1,2-a]purin-9-one?
The IUPAC name of 1-benzyl-7-[2-(dimethylamino)ethyl]-4,6-dimethylimidazo[1,2-a]purin-9-one (CID 100948940) is 1-benzyl-7-[2-(dimethylamino)ethyl]-4,6-dimethylimidazo[1,2-a]purin-9-one.
What is the SMILES notation for 1-benzyl-7-[2-(dimethylamino)ethyl]-4,6-dimethylimidazo[1,2-a]purin-9-one?
The canonical SMILES for 1-benzyl-7-[2-(dimethylamino)ethyl]-4,6-dimethylimidazo[1,2-a]purin-9-one is Cc1nc2n(C)c3ncn(Cc4ccccc4)c3c(=O)n2c1CCN(C)C.
What is the InChIKey of 1-benzyl-7-[2-(dimethylamino)ethyl]-4,6-dimethylimidazo[1,2-a]purin-9-one?
The InChIKey is LBZPPOVOLVBUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-14-16(10-11-23(2)3)26-19(27)17-18(24(4)20(26)22-14)21-13-25(17)12-15-8-6-5-7-9-15/h5-9,13H,10-12H2,1-4H3.
What are the key properties of 1-benzyl-7-[2-(dimethylamino)ethyl]-4,6-dimethylimidazo[1,2-a]purin-9-one?
1-benzyl-7-[2-(dimethylamino)ethyl]-4,6-dimethylimidazo[1,2-a]purin-9-one has a molecular weight of 364.45 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-[2-(dimethylamino)ethyl]-4,6-dimethylimidazo[1,2-a]purin-9-one is sourced from PubChem (CID 100948940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).