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

C10H14N4O3 — CID 112568930

IUPAC3-ethyl-8-(2-methoxyethyl)-7H-purine-2,6-dione
SMILESCCn1c(=O)[nH]c(=O)c2[nH]c(CCOC)nc21
InChIInChI=1S/C10H14N4O3/c1-3-14-8-7(9(15)13-10(14)16)11-6(12-8)4-5-17-2/h3-5H2,1-2H3,(H,11,12)(H,13,15,16)
InChIKeySYBAZULIELRUDZ-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.38
Rot. Bonds4

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

3-ethyl-8-(2-methoxyethyl)-7H-purine-2,6-dione (PubChem CID 112568930) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-ethyl-8-(2-methoxyethyl)-7H-purine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-8-(2-methoxyethyl)-7H-purine-2,6-dione
PubChem CID112568930
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name3-ethyl-8-(2-methoxyethyl)-7H-purine-2,6-dione
SMILESCCn1c(=O)[nH]c(=O)c2[nH]c(CCOC)nc21
InChIInChI=1S/C10H14N4O3/c1-3-14-8-7(9(15)13-10(14)16)11-6(12-8)4-5-17-2/h3-5H2,1-2H3,(H,11,12)(H,13,15,16)
InChIKeySYBAZULIELRUDZ-UHFFFAOYSA-N
XLogP-0.38
TPSA92.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-8-heptyl-7H-purine-2,6-dione
CID 115925569
8-(2-cyclohexylethyl)-3-ethyl-7H-purine-2,6-dione
CID 115925626
4-[3-(2-methoxyethyl)-2,6-dioxo-7H-purin-8-yl]butanoic acid
CID 82465406
8-amino-3-(2-methoxyethyl)-7H-purine-2,6-dione
CID 82465398
3-ethyl-8-hydrazinyl-7H-purine-2,6-dione
CID 82465284
3-ethyl-8-(thiophen-2-ylmethyl)-7H-purine-2,6-dione
CID 112568925
3-ethyl-8-(2-methylbutan-2-yl)-7H-purine-2,6-dione
CID 112568931
3-ethyl-8-(2-hydroxypropan-2-yl)-7H-purine-2,6-dione
CID 112568946
5-(2,6-dioxo-3-propyl-7H-purin-8-yl)pentanoic acid
CID 82465294
8-butyl-3-methyl-7H-purine-2,6-dione
CID 112568989
8-(1-aminoethyl)-3-(3-methoxypropyl)-7H-purine-2,6-dione
CID 82465427
8-(chloromethyl)-1-ethyl-3-(3-methoxypropyl)-7H-purine-2,6-dione
CID 82465125

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-(2-methoxyethyl)-7H-purine-2,6-dione?
The IUPAC name of 3-ethyl-8-(2-methoxyethyl)-7H-purine-2,6-dione (CID 112568930) is 3-ethyl-8-(2-methoxyethyl)-7H-purine-2,6-dione.
What is the SMILES notation for 3-ethyl-8-(2-methoxyethyl)-7H-purine-2,6-dione?
The canonical SMILES for 3-ethyl-8-(2-methoxyethyl)-7H-purine-2,6-dione is CCn1c(=O)[nH]c(=O)c2[nH]c(CCOC)nc21.
What is the InChIKey of 3-ethyl-8-(2-methoxyethyl)-7H-purine-2,6-dione?
The InChIKey is SYBAZULIELRUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-3-14-8-7(9(15)13-10(14)16)11-6(12-8)4-5-17-2/h3-5H2,1-2H3,(H,11,12)(H,13,15,16).
What are the key properties of 3-ethyl-8-(2-methoxyethyl)-7H-purine-2,6-dione?
3-ethyl-8-(2-methoxyethyl)-7H-purine-2,6-dione has a molecular weight of 238.25 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-(2-methoxyethyl)-7H-purine-2,6-dione is sourced from PubChem (CID 112568930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).