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

C14H23N5O2 — CID 82465901

IUPAC7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione
SMILESCCCCn1c(=O)n(C)c(=O)c2c1nc(CC)n2CCN
InChIInChI=1S/C14H23N5O2/c1-4-6-8-19-12-11(13(20)17(3)14(19)21)18(9-7-15)10(5-2)16-12/h4-9,15H2,1-3H3
InChIKeyTVEBVJAGDIHKPZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.22
Rot. Bonds6

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

7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione (PubChem CID 82465901) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione.

Molecular Properties

Compound Name7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione
PubChem CID82465901
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione
SMILESCCCCn1c(=O)n(C)c(=O)c2c1nc(CC)n2CCN
InChIInChI=1S/C14H23N5O2/c1-4-6-8-19-12-11(13(20)17(3)14(19)21)18(9-7-15)10(5-2)16-12/h4-9,15H2,1-3H3
InChIKeyTVEBVJAGDIHKPZ-UHFFFAOYSA-N
XLogP0.22
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 ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione
CID 82465873
1-(2-aminoethyl)-3-butyl-8-ethyl-7-methylpurine-2,6-dione
CID 82466367
7-(2-aminoethyl)-1,3,8-triethylpurine-2,6-dione
CID 82466049
8-(3-aminopropyl)-7-butyl-1,3-dimethylpurine-2,6-dione
CID 82463916
7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 51058603
7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione
CID 82465846
7-(3-aminopropyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 82465748
7-(2-aminoethyl)-3-ethyl-8-(2-methoxyethyl)-1-methylpurine-2,6-dione
CID 82465860
7-(2-aminoethyl)-1,8-diethyl-3-propan-2-ylpurine-2,6-dione
CID 82466091
3-butyl-7-ethyl-1-methyl-8-(methylamino)purine-2,6-dione
CID 82464795
1-(2-aminoethyl)-3,7-diethyl-8-propylpurine-2,6-dione
CID 82466550
7-(3-aminopropyl)-8-cyclopropyl-1-methyl-3-propylpurine-2,6-dione
CID 82465892

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione?
The IUPAC name of 7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione (CID 82465901) is 7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione.
What is the SMILES notation for 7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione?
The canonical SMILES for 7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione is CCCCn1c(=O)n(C)c(=O)c2c1nc(CC)n2CCN.
What is the InChIKey of 7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione?
The InChIKey is TVEBVJAGDIHKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-4-6-8-19-12-11(13(20)17(3)14(19)21)18(9-7-15)10(5-2)16-12/h4-9,15H2,1-3H3.
What are the key properties of 7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione?
7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione has a molecular weight of 293.37 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione is sourced from PubChem (CID 82465901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).