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

C13H21N5O3 — CID 82465860

IUPAC7-(2-aminoethyl)-3-ethyl-8-(2-methoxyethyl)-1-methylpurine-2,6-dione
SMILESCCn1c(=O)n(C)c(=O)c2c1nc(CCOC)n2CCN
InChIInChI=1S/C13H21N5O3/c1-4-17-11-10(12(19)16(2)13(17)20)18(7-6-14)9(15-11)5-8-21-3/h4-8,14H2,1-3H3
InChIKeyRQAPWQWKYAOZAO-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.94
Rot. Bonds6

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

7-(2-aminoethyl)-3-ethyl-8-(2-methoxyethyl)-1-methylpurine-2,6-dione (PubChem CID 82465860) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 7-(2-aminoethyl)-3-ethyl-8-(2-methoxyethyl)-1-methylpurine-2,6-dione.

Molecular Properties

Compound Name7-(2-aminoethyl)-3-ethyl-8-(2-methoxyethyl)-1-methylpurine-2,6-dione
PubChem CID82465860
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name7-(2-aminoethyl)-3-ethyl-8-(2-methoxyethyl)-1-methylpurine-2,6-dione
SMILESCCn1c(=O)n(C)c(=O)c2c1nc(CCOC)n2CCN
InChIInChI=1S/C13H21N5O3/c1-4-17-11-10(12(19)16(2)13(17)20)18(7-6-14)9(15-11)5-8-21-3/h4-8,14H2,1-3H3
InChIKeyRQAPWQWKYAOZAO-UHFFFAOYSA-N
XLogP-0.94
TPSA97.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione
CID 82465846
8-(chloromethyl)-7-ethyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione
CID 82465077
7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 51058603
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)-1,3,8-triethylpurine-2,6-dione
CID 82466049
7-(2-aminoethyl)-3-ethyl-1-methyl-8-(trifluoromethyl)purine-2,6-dione
CID 82465845
7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione
CID 82465901
7-(2-aminoethyl)-8-cyclopropyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione
CID 82465978
1-(3-aminopropyl)-7-ethyl-8-(methoxymethyl)-3-methylpurine-2,6-dione
CID 82466508
1-(2-aminoethyl)-7-ethyl-3-(3-methoxypropyl)-8-methylpurine-2,6-dione
CID 82466657
7-(3-aminopropyl)-3-ethyl-1,8-dimethylpurine-2,6-dione
CID 82465806

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethyl)-3-ethyl-8-(2-methoxyethyl)-1-methylpurine-2,6-dione?
The IUPAC name of 7-(2-aminoethyl)-3-ethyl-8-(2-methoxyethyl)-1-methylpurine-2,6-dione (CID 82465860) is 7-(2-aminoethyl)-3-ethyl-8-(2-methoxyethyl)-1-methylpurine-2,6-dione.
What is the SMILES notation for 7-(2-aminoethyl)-3-ethyl-8-(2-methoxyethyl)-1-methylpurine-2,6-dione?
The canonical SMILES for 7-(2-aminoethyl)-3-ethyl-8-(2-methoxyethyl)-1-methylpurine-2,6-dione is CCn1c(=O)n(C)c(=O)c2c1nc(CCOC)n2CCN.
What is the InChIKey of 7-(2-aminoethyl)-3-ethyl-8-(2-methoxyethyl)-1-methylpurine-2,6-dione?
The InChIKey is RQAPWQWKYAOZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-4-17-11-10(12(19)16(2)13(17)20)18(7-6-14)9(15-11)5-8-21-3/h4-8,14H2,1-3H3.
What are the key properties of 7-(2-aminoethyl)-3-ethyl-8-(2-methoxyethyl)-1-methylpurine-2,6-dione?
7-(2-aminoethyl)-3-ethyl-8-(2-methoxyethyl)-1-methylpurine-2,6-dione has a molecular weight of 295.34 g/mol, XLogP of -0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethyl)-3-ethyl-8-(2-methoxyethyl)-1-methylpurine-2,6-dione is sourced from PubChem (CID 82465860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).