8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione

C12H19N5O2 — CID 82464444

IUPAC8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione
SMILESCCn1c(=O)c2c(nc(CCN)n2C)n(CC)c1=O
InChIInChI=1S/C12H19N5O2/c1-4-16-10-9(11(18)17(5-2)12(16)19)15(3)8(14-10)6-7-13/h4-7,13H2,1-3H3
InChIKeyWKXMMFIUTAQTLY-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.56
Rot. Bonds4

About 8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione

8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione (PubChem CID 82464444) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione.

Molecular Properties

Compound Name8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione
PubChem CID82464444
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione
SMILESCCn1c(=O)c2c(nc(CCN)n2C)n(CC)c1=O
InChIInChI=1S/C12H19N5O2/c1-4-16-10-9(11(18)17(5-2)12(16)19)15(3)8(14-10)6-7-13/h4-7,13H2,1-3H3
InChIKeyWKXMMFIUTAQTLY-UHFFFAOYSA-N
XLogP-0.56
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-aminoethyl)-7-methyl-3,8-dipropylpurine-2,6-dione
CID 82466297
1,3-diethyl-7-methyl-8-(2-phenylethyl)purine-2,6-dione
CID 122191021
7-(2-aminoethyl)-1,3,8-triethylpurine-2,6-dione
CID 82466049
1-(2-aminoethyl)-3,7-diethyl-8-propylpurine-2,6-dione
CID 82466550
8-(chloromethyl)-1-ethyl-3,7-dimethylpurine-2,6-dione
CID 71396865
1-(2-aminoethyl)-3-butyl-8-ethyl-7-methylpurine-2,6-dione
CID 82466367
1-(2-aminoethyl)-7-methyl-8-(2-methylpropyl)-3-propylpurine-2,6-dione
CID 82466304
1-ethyl-3-(2-methoxyethyl)-7-methyl-8-(methylaminomethyl)purine-2,6-dione
CID 82465054
7-(2-aminoethyl)-3-ethyl-8-(2-methoxyethyl)-1-methylpurine-2,6-dione
CID 82465860
7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione
CID 82465846
8-amino-1,7-diethyl-3-methylpurine-2,6-dione
CID 82464399
8-(2-aminoethylamino)-1-ethyl-3-(2-methoxyethyl)-7-methylpurine-2,6-dione
CID 82465055

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione?
The IUPAC name of 8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione (CID 82464444) is 8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione.
What is the SMILES notation for 8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione?
The canonical SMILES for 8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione is CCn1c(=O)c2c(nc(CCN)n2C)n(CC)c1=O.
What is the InChIKey of 8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione?
The InChIKey is WKXMMFIUTAQTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-4-16-10-9(11(18)17(5-2)12(16)19)15(3)8(14-10)6-7-13/h4-7,13H2,1-3H3.
What are the key properties of 8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione?
8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione has a molecular weight of 265.32 g/mol, XLogP of -0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione is sourced from PubChem (CID 82464444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).