8-amino-3-(2-methoxyethyl)-7H-purine-2,6-dione

C8H11N5O3 — CID 82465398

IUPAC8-amino-3-(2-methoxyethyl)-7H-purine-2,6-dione
SMILESCOCCn1c(=O)[nH]c(=O)c2[nH]c(N)nc21
InChIInChI=1S/C8H11N5O3/c1-16-3-2-13-5-4(10-7(9)11-5)6(14)12-8(13)15/h2-3H2,1H3,(H3,9,10,11)(H,12,14,15)
InChIKeyCCBKDCQDZJDUOS-UHFFFAOYSA-N
MW225.21 g/mol
LogP-1.36
Rot. Bonds3

About 8-amino-3-(2-methoxyethyl)-7H-purine-2,6-dione

8-amino-3-(2-methoxyethyl)-7H-purine-2,6-dione (PubChem CID 82465398) has the molecular formula C8H11N5O3 and a molecular weight of 225.21 g/mol. Its IUPAC name is 8-amino-3-(2-methoxyethyl)-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-amino-3-(2-methoxyethyl)-7H-purine-2,6-dione
PubChem CID82465398
Molecular FormulaC8H11N5O3
Molecular Weight225.21 g/mol
Exact Mass225.09
IUPAC Name8-amino-3-(2-methoxyethyl)-7H-purine-2,6-dione
SMILESCOCCn1c(=O)[nH]c(=O)c2[nH]c(N)nc21
InChIInChI=1S/C8H11N5O3/c1-16-3-2-13-5-4(10-7(9)11-5)6(14)12-8(13)15/h2-3H2,1H3,(H3,9,10,11)(H,12,14,15)
InChIKeyCCBKDCQDZJDUOS-UHFFFAOYSA-N
XLogP-1.36
TPSA118.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

8-(1-aminoethyl)-3-(3-methoxypropyl)-7H-purine-2,6-dione
CID 82465427
4-[3-(2-methoxyethyl)-2,6-dioxo-7H-purin-8-yl]butanoic acid
CID 82465406
3-ethyl-8-(2-methoxyethyl)-7H-purine-2,6-dione
CID 112568930
6-amino-5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 2389933
3,8-diamino-7H-purine-2,6-dione
CID 66980062
8-(aminomethyl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione
CID 82465449
7-ethyl-8-(ethylamino)-3-(2-methoxyethyl)purine-2,6-dione
CID 82465455
8-(3-hydroxypropylamino)-3-(3-methoxypropyl)-7H-purine-2,6-dione
CID 82465444
8-(chloromethyl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione
CID 82465458
7-ethyl-8-(2-hydroxyethylamino)-3-(2-methoxyethyl)purine-2,6-dione
CID 82465462
8-(3-hydroxypropylamino)-3-(2-methoxyethyl)-7-methylpurine-2,6-dione
CID 82464244
8-hydrazinyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
CID 3123512

Frequently Asked Questions

What is the IUPAC name of 8-amino-3-(2-methoxyethyl)-7H-purine-2,6-dione?
The IUPAC name of 8-amino-3-(2-methoxyethyl)-7H-purine-2,6-dione (CID 82465398) is 8-amino-3-(2-methoxyethyl)-7H-purine-2,6-dione.
What is the SMILES notation for 8-amino-3-(2-methoxyethyl)-7H-purine-2,6-dione?
The canonical SMILES for 8-amino-3-(2-methoxyethyl)-7H-purine-2,6-dione is COCCn1c(=O)[nH]c(=O)c2[nH]c(N)nc21.
What is the InChIKey of 8-amino-3-(2-methoxyethyl)-7H-purine-2,6-dione?
The InChIKey is CCBKDCQDZJDUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O3/c1-16-3-2-13-5-4(10-7(9)11-5)6(14)12-8(13)15/h2-3H2,1H3,(H3,9,10,11)(H,12,14,15).
What are the key properties of 8-amino-3-(2-methoxyethyl)-7H-purine-2,6-dione?
8-amino-3-(2-methoxyethyl)-7H-purine-2,6-dione has a molecular weight of 225.21 g/mol, XLogP of -1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-(2-methoxyethyl)-7H-purine-2,6-dione is sourced from PubChem (CID 82465398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).