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

C13H21N5O2 — CID 82466049

IUPAC7-(2-aminoethyl)-1,3,8-triethylpurine-2,6-dione
SMILESCCc1nc2c(c(=O)n(CC)c(=O)n2CC)n1CCN
InChIInChI=1S/C13H21N5O2/c1-4-9-15-11-10(18(9)8-7-14)12(19)17(6-3)13(20)16(11)5-2/h4-8,14H2,1-3H3
InChIKeyCFQXEPLYPAMEBO-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.08
Rot. Bonds5

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

7-(2-aminoethyl)-1,3,8-triethylpurine-2,6-dione (PubChem CID 82466049) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 7-(2-aminoethyl)-1,3,8-triethylpurine-2,6-dione.

Molecular Properties

Compound Name7-(2-aminoethyl)-1,3,8-triethylpurine-2,6-dione
PubChem CID82466049
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name7-(2-aminoethyl)-1,3,8-triethylpurine-2,6-dione
SMILESCCc1nc2c(c(=O)n(CC)c(=O)n2CC)n1CCN
InChIInChI=1S/C13H21N5O2/c1-4-9-15-11-10(18(9)8-7-14)12(19)17(6-3)13(20)16(11)5-2/h4-8,14H2,1-3H3
InChIKeyCFQXEPLYPAMEBO-UHFFFAOYSA-N
XLogP-0.08
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(2-aminoethyl)-1,8-diethyl-3-propan-2-ylpurine-2,6-dione
CID 82466091
1-(2-aminoethyl)-3,7-diethyl-8-propylpurine-2,6-dione
CID 82466550
7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione
CID 82465873
7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione
CID 82465901
8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione
CID 82464444
7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione
CID 82465846
1-(2-aminoethyl)-3-butyl-8-ethyl-7-methylpurine-2,6-dione
CID 82466367
7-(2-aminoethyl)-3-ethyl-8-(2-methoxyethyl)-1-methylpurine-2,6-dione
CID 82465860
1-(2-aminoethyl)-7-methyl-3,8-dipropylpurine-2,6-dione
CID 82466297
1-(2-aminoethyl)-7-ethyl-3-propan-2-yl-8-propylpurine-2,6-dione
CID 82466583
1-(2-amino-2-methylpropyl)-7,8-diethyl-3-methylpurine-2,6-dione
CID 82466482
3-butyl-1-ethyl-8-(hydroxymethyl)-7-propylpurine-2,6-dione
CID 110882468

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethyl)-1,3,8-triethylpurine-2,6-dione?
The IUPAC name of 7-(2-aminoethyl)-1,3,8-triethylpurine-2,6-dione (CID 82466049) is 7-(2-aminoethyl)-1,3,8-triethylpurine-2,6-dione.
What is the SMILES notation for 7-(2-aminoethyl)-1,3,8-triethylpurine-2,6-dione?
The canonical SMILES for 7-(2-aminoethyl)-1,3,8-triethylpurine-2,6-dione is CCc1nc2c(c(=O)n(CC)c(=O)n2CC)n1CCN.
What is the InChIKey of 7-(2-aminoethyl)-1,3,8-triethylpurine-2,6-dione?
The InChIKey is CFQXEPLYPAMEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-4-9-15-11-10(18(9)8-7-14)12(19)17(6-3)13(20)16(11)5-2/h4-8,14H2,1-3H3.
What are the key properties of 7-(2-aminoethyl)-1,3,8-triethylpurine-2,6-dione?
7-(2-aminoethyl)-1,3,8-triethylpurine-2,6-dione has a molecular weight of 279.34 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethyl)-1,3,8-triethylpurine-2,6-dione is sourced from PubChem (CID 82466049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).