7-ethyl-8-(ethylamino)-3-(2-methoxyethyl)purine-2,6-dione

C12H19N5O3 — CID 82465455

IUPAC7-ethyl-8-(ethylamino)-3-(2-methoxyethyl)purine-2,6-dione
SMILESCCNc1nc2c(c(=O)[nH]c(=O)n2CCOC)n1CC
InChIInChI=1S/C12H19N5O3/c1-4-13-11-14-9-8(16(11)5-2)10(18)15-12(19)17(9)6-7-20-3/h4-7H2,1-3H3,(H,13,14)(H,15,18,19)
InChIKeyJJPDUPXLOZGCHD-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.02
Rot. Bonds6

About 7-ethyl-8-(ethylamino)-3-(2-methoxyethyl)purine-2,6-dione

7-ethyl-8-(ethylamino)-3-(2-methoxyethyl)purine-2,6-dione (PubChem CID 82465455) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 7-ethyl-8-(ethylamino)-3-(2-methoxyethyl)purine-2,6-dione.

Molecular Properties

Compound Name7-ethyl-8-(ethylamino)-3-(2-methoxyethyl)purine-2,6-dione
PubChem CID82465455
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name7-ethyl-8-(ethylamino)-3-(2-methoxyethyl)purine-2,6-dione
SMILESCCNc1nc2c(c(=O)[nH]c(=O)n2CCOC)n1CC
InChIInChI=1S/C12H19N5O3/c1-4-13-11-14-9-8(16(11)5-2)10(18)15-12(19)17(9)6-7-20-3/h4-7H2,1-3H3,(H,13,14)(H,15,18,19)
InChIKeyJJPDUPXLOZGCHD-UHFFFAOYSA-N
XLogP-0.02
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-ethyl-8-(2-hydroxyethylamino)-3-(2-methoxyethyl)purine-2,6-dione
CID 82465462
8-(ethylamino)-3-(3-methoxypropyl)-7-methylpurine-2,6-dione
CID 82464323
8-(chloromethyl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione
CID 82465458
8-(aminomethyl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione
CID 82465449
8-(3-hydroxypropylamino)-3-(2-methoxyethyl)-7-methylpurine-2,6-dione
CID 82464244
7-(2-methoxyethyl)-3-methyl-8-(methylamino)purine-2,6-dione
CID 652075
8-hydrazinyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
CID 3123512
7-ethyl-8-(ethylamino)-3-phenylpurine-2,6-dione
CID 82464367
3-(3-methoxypropyl)-7-methyl-8-(methylamino)purine-2,6-dione
CID 82464322
8-(2-aminoethylamino)-3-(3-methoxypropyl)-7-methylpurine-2,6-dione
CID 82464328
3-ethyl-7-methyl-8-(methylamino)purine-2,6-dione
CID 82463994
8-(3-methoxypropylamino)-3-methyl-7-pentylpurine-2,6-dione
CID 7025678

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-(ethylamino)-3-(2-methoxyethyl)purine-2,6-dione?
The IUPAC name of 7-ethyl-8-(ethylamino)-3-(2-methoxyethyl)purine-2,6-dione (CID 82465455) is 7-ethyl-8-(ethylamino)-3-(2-methoxyethyl)purine-2,6-dione.
What is the SMILES notation for 7-ethyl-8-(ethylamino)-3-(2-methoxyethyl)purine-2,6-dione?
The canonical SMILES for 7-ethyl-8-(ethylamino)-3-(2-methoxyethyl)purine-2,6-dione is CCNc1nc2c(c(=O)[nH]c(=O)n2CCOC)n1CC.
What is the InChIKey of 7-ethyl-8-(ethylamino)-3-(2-methoxyethyl)purine-2,6-dione?
The InChIKey is JJPDUPXLOZGCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-4-13-11-14-9-8(16(11)5-2)10(18)15-12(19)17(9)6-7-20-3/h4-7H2,1-3H3,(H,13,14)(H,15,18,19).
What are the key properties of 7-ethyl-8-(ethylamino)-3-(2-methoxyethyl)purine-2,6-dione?
7-ethyl-8-(ethylamino)-3-(2-methoxyethyl)purine-2,6-dione has a molecular weight of 281.32 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-(ethylamino)-3-(2-methoxyethyl)purine-2,6-dione is sourced from PubChem (CID 82465455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).