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

C14H23N5O2 — CID 82466550

IUPAC1-(2-aminoethyl)-3,7-diethyl-8-propylpurine-2,6-dione
SMILESCCCc1nc2c(c(=O)n(CCN)c(=O)n2CC)n1CC
InChIInChI=1S/C14H23N5O2/c1-4-7-10-16-12-11(17(10)5-2)13(20)19(9-8-15)14(21)18(12)6-3/h4-9,15H2,1-3H3
InChIKeyZPICJQMBBQBFPB-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.31
Rot. Bonds6

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

1-(2-aminoethyl)-3,7-diethyl-8-propylpurine-2,6-dione (PubChem CID 82466550) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3,7-diethyl-8-propylpurine-2,6-dione.

Molecular Properties

Compound Name1-(2-aminoethyl)-3,7-diethyl-8-propylpurine-2,6-dione
PubChem CID82466550
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-(2-aminoethyl)-3,7-diethyl-8-propylpurine-2,6-dione
SMILESCCCc1nc2c(c(=O)n(CCN)c(=O)n2CC)n1CC
InChIInChI=1S/C14H23N5O2/c1-4-7-10-16-12-11(17(10)5-2)13(20)19(9-8-15)14(21)18(12)6-3/h4-9,15H2,1-3H3
InChIKeyZPICJQMBBQBFPB-UHFFFAOYSA-N
XLogP0.31
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.31
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
1-(2-aminoethyl)-7-methyl-3,8-dipropylpurine-2,6-dione
CID 82466297
7-(2-aminoethyl)-1,3,8-triethylpurine-2,6-dione
CID 82466049
7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 51058603
8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione
CID 82464444
7-(2-aminoethyl)-3-ethyl-8-(2-methoxyethyl)-1-methylpurine-2,6-dione
CID 82465860
1-(2-aminoethyl)-3-butyl-8-ethyl-7-methylpurine-2,6-dione
CID 82466367
7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione
CID 82465846
7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione
CID 82465873
1-(2-aminoethyl)-7-methyl-8-(2-methylpropyl)-3-propylpurine-2,6-dione
CID 82466304
7-(3-aminopropyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 82465748
1-(3-aminopropyl)-3,7-diethyl-8-propan-2-ylpurine-2,6-dione
CID 82466554

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3,7-diethyl-8-propylpurine-2,6-dione?
The IUPAC name of 1-(2-aminoethyl)-3,7-diethyl-8-propylpurine-2,6-dione (CID 82466550) is 1-(2-aminoethyl)-3,7-diethyl-8-propylpurine-2,6-dione.
What is the SMILES notation for 1-(2-aminoethyl)-3,7-diethyl-8-propylpurine-2,6-dione?
The canonical SMILES for 1-(2-aminoethyl)-3,7-diethyl-8-propylpurine-2,6-dione is CCCc1nc2c(c(=O)n(CCN)c(=O)n2CC)n1CC.
What is the InChIKey of 1-(2-aminoethyl)-3,7-diethyl-8-propylpurine-2,6-dione?
The InChIKey is ZPICJQMBBQBFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-4-7-10-16-12-11(17(10)5-2)13(20)19(9-8-15)14(21)18(12)6-3/h4-9,15H2,1-3H3.
What are the key properties of 1-(2-aminoethyl)-3,7-diethyl-8-propylpurine-2,6-dione?
1-(2-aminoethyl)-3,7-diethyl-8-propylpurine-2,6-dione has a molecular weight of 293.37 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3,7-diethyl-8-propylpurine-2,6-dione is sourced from PubChem (CID 82466550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).