7-[2-(dimethylamino)ethyl]-8-ethyl-1,3-dimethylpurine-2,6-dione

C13H21N5O2 — CID 54323379

IUPAC7-[2-(dimethylamino)ethyl]-8-ethyl-1,3-dimethylpurine-2,6-dione
SMILESCCc1nc2c(c(=O)n(C)c(=O)n2C)n1CCN(C)C
InChIInChI=1S/C13H21N5O2/c1-6-9-14-11-10(18(9)8-7-15(2)3)12(19)17(5)13(20)16(11)4/h6-8H2,1-5H3
InChIKeySTFDWWGOBFHVIV-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.44
Rot. Bonds4

About 7-[2-(dimethylamino)ethyl]-8-ethyl-1,3-dimethylpurine-2,6-dione

7-[2-(dimethylamino)ethyl]-8-ethyl-1,3-dimethylpurine-2,6-dione (PubChem CID 54323379) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 7-[2-(dimethylamino)ethyl]-8-ethyl-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name7-[2-(dimethylamino)ethyl]-8-ethyl-1,3-dimethylpurine-2,6-dione
PubChem CID54323379
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name7-[2-(dimethylamino)ethyl]-8-ethyl-1,3-dimethylpurine-2,6-dione
SMILESCCc1nc2c(c(=O)n(C)c(=O)n2C)n1CCN(C)C
InChIInChI=1S/C13H21N5O2/c1-6-9-14-11-10(18(9)8-7-15(2)3)12(19)17(5)13(20)16(11)4/h6-8H2,1-5H3
InChIKeySTFDWWGOBFHVIV-UHFFFAOYSA-N
XLogP-0.44
TPSA65.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[4-(diethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(diethylamino)propyl]-1,3,8-trimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-8-ethyl-1,3-dimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(dimethylamino)propyl]-8-ethyl-1,3-dimethylpurine-2,6-dione
CID 158252431
7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 51058603
7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione
CID 82465873
7-(3-aminopropyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 82465748
7-[2-[di(propan-2-yl)amino]ethyl]-1,3,8-trimethylpurine-2,6-dione
CID 20562635
8-(3-aminopropyl)-7-butyl-1,3-dimethylpurine-2,6-dione
CID 82463916
7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione
CID 82465901
6-[2-(dimethylamino)ethyl]-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione
CID 91901205
7-[2-(dibutylamino)ethyl]-1,3,8-trimethylpurine-2,6-dione;hydrochloride
CID 70578145
9-[2-(dimethylamino)ethyl]-13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione
CID 10690436
1-(2-amino-2-methylpropyl)-7,8-diethyl-3-methylpurine-2,6-dione
CID 82466482
8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
CID 5310172

Frequently Asked Questions

What is the IUPAC name of 7-[2-(dimethylamino)ethyl]-8-ethyl-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 7-[2-(dimethylamino)ethyl]-8-ethyl-1,3-dimethylpurine-2,6-dione (CID 54323379) is 7-[2-(dimethylamino)ethyl]-8-ethyl-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 7-[2-(dimethylamino)ethyl]-8-ethyl-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 7-[2-(dimethylamino)ethyl]-8-ethyl-1,3-dimethylpurine-2,6-dione is CCc1nc2c(c(=O)n(C)c(=O)n2C)n1CCN(C)C.
What is the InChIKey of 7-[2-(dimethylamino)ethyl]-8-ethyl-1,3-dimethylpurine-2,6-dione?
The InChIKey is STFDWWGOBFHVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-6-9-14-11-10(18(9)8-7-15(2)3)12(19)17(5)13(20)16(11)4/h6-8H2,1-5H3.
What are the key properties of 7-[2-(dimethylamino)ethyl]-8-ethyl-1,3-dimethylpurine-2,6-dione?
7-[2-(dimethylamino)ethyl]-8-ethyl-1,3-dimethylpurine-2,6-dione has a molecular weight of 279.34 g/mol, XLogP of -0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(dimethylamino)ethyl]-8-ethyl-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 54323379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).