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

C11H17N5O3 — CID 82465449

IUPAC8-(aminomethyl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione
SMILESCCn1c(CN)nc2c1c(=O)[nH]c(=O)n2CCOC
InChIInChI=1S/C11H17N5O3/c1-3-15-7(6-12)13-9-8(15)10(17)14-11(18)16(9)4-5-19-2/h3-6,12H2,1-2H3,(H,14,17,18)
InChIKeyBQPFGXXZZAAOGL-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.99
Rot. Bonds5

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

8-(aminomethyl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione (PubChem CID 82465449) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 8-(aminomethyl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione.

Molecular Properties

Compound Name8-(aminomethyl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione
PubChem CID82465449
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name8-(aminomethyl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione
SMILESCCn1c(CN)nc2c1c(=O)[nH]c(=O)n2CCOC
InChIInChI=1S/C11H17N5O3/c1-3-15-7(6-12)13-9-8(15)10(17)14-11(18)16(9)4-5-19-2/h3-6,12H2,1-2H3,(H,14,17,18)
InChIKeyBQPFGXXZZAAOGL-UHFFFAOYSA-N
XLogP-0.99
TPSA107.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-(chloromethyl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione
CID 82465458
7-ethyl-8-(ethylamino)-3-(2-methoxyethyl)purine-2,6-dione
CID 82465455
7-ethyl-8-(2-hydroxyethylamino)-3-(2-methoxyethyl)purine-2,6-dione
CID 82465462
(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl butanoate
CID 7503949
8-amino-3-(2-methoxyethyl)-7H-purine-2,6-dione
CID 82465398
8-hydrazinyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
CID 3123512
3-(2-methoxyethyl)-7-methyl-8-piperidin-4-ylpurine-2,6-dione
CID 82464231
8-amino-3-ethyl-7-methylpurine-2,6-dione
CID 82463984
ethyl 2-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
CID 3123499
7-(2-methoxyethyl)-3-methyl-8-(methylamino)purine-2,6-dione
CID 652075
7-(2-methoxyethyl)-8-(4-methoxy-3-methylphenyl)-3-propylpurine-2,6-dione
CID 17433874
8-bromo-3,7-diethylpurine-2,6-dione
CID 82464024

Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione?
The IUPAC name of 8-(aminomethyl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione (CID 82465449) is 8-(aminomethyl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione.
What is the SMILES notation for 8-(aminomethyl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione?
The canonical SMILES for 8-(aminomethyl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione is CCn1c(CN)nc2c1c(=O)[nH]c(=O)n2CCOC.
What is the InChIKey of 8-(aminomethyl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione?
The InChIKey is BQPFGXXZZAAOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-3-15-7(6-12)13-9-8(15)10(17)14-11(18)16(9)4-5-19-2/h3-6,12H2,1-2H3,(H,14,17,18).
What are the key properties of 8-(aminomethyl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione?
8-(aminomethyl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione has a molecular weight of 267.29 g/mol, XLogP of -0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione is sourced from PubChem (CID 82465449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).