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

C14H23N5O2 — CID 82466091

IUPAC7-(2-aminoethyl)-1,8-diethyl-3-propan-2-ylpurine-2,6-dione
SMILESCCc1nc2c(c(=O)n(CC)c(=O)n2C(C)C)n1CCN
InChIInChI=1S/C14H23N5O2/c1-5-10-16-12-11(18(10)8-7-15)13(20)17(6-2)14(21)19(12)9(3)4/h9H,5-8,15H2,1-4H3
InChIKeyOVBXSAWDOWDCIN-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.48
Rot. Bonds5

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

7-(2-aminoethyl)-1,8-diethyl-3-propan-2-ylpurine-2,6-dione (PubChem CID 82466091) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 7-(2-aminoethyl)-1,8-diethyl-3-propan-2-ylpurine-2,6-dione.

Molecular Properties

Compound Name7-(2-aminoethyl)-1,8-diethyl-3-propan-2-ylpurine-2,6-dione
PubChem CID82466091
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name7-(2-aminoethyl)-1,8-diethyl-3-propan-2-ylpurine-2,6-dione
SMILESCCc1nc2c(c(=O)n(CC)c(=O)n2C(C)C)n1CCN
InChIInChI=1S/C14H23N5O2/c1-5-10-16-12-11(18(10)8-7-15)13(20)17(6-2)14(21)19(12)9(3)4/h9H,5-8,15H2,1-4H3
InChIKeyOVBXSAWDOWDCIN-UHFFFAOYSA-N
XLogP0.48
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-aminoethyl)-7-ethyl-3-propan-2-yl-8-propylpurine-2,6-dione
CID 82466583
7-(2-aminoethyl)-1,3,8-triethylpurine-2,6-dione
CID 82466049
7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione
CID 82465873
1-ethyl-7-methyl-8-(methylaminomethyl)-3-propan-2-ylpurine-2,6-dione
CID 82464569
7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione
CID 82465846
7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione
CID 82465901
1-(2-aminobutyl)-8-ethyl-7-methyl-3-propan-2-ylpurine-2,6-dione
CID 82466335
1-ethyl-8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione
CID 82464565
1-(2-aminoethyl)-3,7-diethyl-8-propylpurine-2,6-dione
CID 82466550
2-(7-ethyl-1-methyl-2,6-dioxo-3-propan-2-ylpurin-8-yl)acetic acid
CID 82464524
7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 51058603
1-(2-aminoethyl)-3-butan-2-yl-8-(methoxymethyl)-7-methylpurine-2,6-dione
CID 82466395

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethyl)-1,8-diethyl-3-propan-2-ylpurine-2,6-dione?
The IUPAC name of 7-(2-aminoethyl)-1,8-diethyl-3-propan-2-ylpurine-2,6-dione (CID 82466091) is 7-(2-aminoethyl)-1,8-diethyl-3-propan-2-ylpurine-2,6-dione.
What is the SMILES notation for 7-(2-aminoethyl)-1,8-diethyl-3-propan-2-ylpurine-2,6-dione?
The canonical SMILES for 7-(2-aminoethyl)-1,8-diethyl-3-propan-2-ylpurine-2,6-dione is CCc1nc2c(c(=O)n(CC)c(=O)n2C(C)C)n1CCN.
What is the InChIKey of 7-(2-aminoethyl)-1,8-diethyl-3-propan-2-ylpurine-2,6-dione?
The InChIKey is OVBXSAWDOWDCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-5-10-16-12-11(18(10)8-7-15)13(20)17(6-2)14(21)19(12)9(3)4/h9H,5-8,15H2,1-4H3.
What are the key properties of 7-(2-aminoethyl)-1,8-diethyl-3-propan-2-ylpurine-2,6-dione?
7-(2-aminoethyl)-1,8-diethyl-3-propan-2-ylpurine-2,6-dione has a molecular weight of 293.37 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethyl)-1,8-diethyl-3-propan-2-ylpurine-2,6-dione is sourced from PubChem (CID 82466091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).