7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione

C14H23N5O2 — CID 82465846

IUPAC7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione
SMILESCCn1c(=O)n(C)c(=O)c2c1nc(CC(C)C)n2CCN
InChIInChI=1S/C14H23N5O2/c1-5-18-12-11(13(20)17(4)14(18)21)19(7-6-15)10(16-12)8-9(2)3/h9H,5-8,15H2,1-4H3
InChIKeyHWTOWUVUECZYBI-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.07
Rot. Bonds5

About 7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione

7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione (PubChem CID 82465846) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione.

Molecular Properties

Compound Name7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione
PubChem CID82465846
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione
SMILESCCn1c(=O)n(C)c(=O)c2c1nc(CC(C)C)n2CCN
InChIInChI=1S/C14H23N5O2/c1-5-18-12-11(13(20)17(4)14(18)21)19(7-6-15)10(16-12)8-9(2)3/h9H,5-8,15H2,1-4H3
InChIKeyHWTOWUVUECZYBI-UHFFFAOYSA-N
XLogP0.07
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 ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(2-aminoethyl)-3-ethyl-8-(2-methoxyethyl)-1-methylpurine-2,6-dione
CID 82465860
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-(2-aminoethyl)-1,3,8-triethylpurine-2,6-dione
CID 82466049
7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione
CID 82465901
7-(2-aminoethyl)-3-ethyl-1-methyl-8-(trifluoromethyl)purine-2,6-dione
CID 82465845
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-(1-aminopropan-2-yl)-1-ethyl-3-methyl-8-(2-methylpropyl)purine-2,6-dione
CID 82466022
7-(3-aminopropyl)-3-ethyl-1,8-dimethylpurine-2,6-dione
CID 82465806
7-(2-aminoethyl)-1,8-diethyl-3-propan-2-ylpurine-2,6-dione
CID 82466091
8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione
CID 82464444

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione?
The IUPAC name of 7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione (CID 82465846) is 7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione.
What is the SMILES notation for 7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione?
The canonical SMILES for 7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione is CCn1c(=O)n(C)c(=O)c2c1nc(CC(C)C)n2CCN.
What is the InChIKey of 7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione?
The InChIKey is HWTOWUVUECZYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-5-18-12-11(13(20)17(4)14(18)21)19(7-6-15)10(16-12)8-9(2)3/h9H,5-8,15H2,1-4H3.
What are the key properties of 7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione?
7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione has a molecular weight of 293.37 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione is sourced from PubChem (CID 82465846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).