7-(2-methoxyethyl)-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione

C11H16N4O3S — CID 6462253

IUPAC7-(2-methoxyethyl)-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione
SMILESCOCCn1c(SC)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C11H16N4O3S/c1-13-8-7(9(16)14(2)11(13)17)15(5-6-18-3)10(12-8)19-4/h5-6H2,1-4H3
InChIKeyLHXGKBDULNJCQP-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.20
Rot. Bonds4

About 7-(2-methoxyethyl)-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione

7-(2-methoxyethyl)-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione (PubChem CID 6462253) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione.

Molecular Properties

Compound Name7-(2-methoxyethyl)-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione
PubChem CID6462253
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name7-(2-methoxyethyl)-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione
SMILESCOCCn1c(SC)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C11H16N4O3S/c1-13-8-7(9(16)14(2)11(13)17)15(5-6-18-3)10(12-8)19-4/h5-6H2,1-4H3
InChIKeyLHXGKBDULNJCQP-UHFFFAOYSA-N
XLogP-0.20
TPSA71.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-(2-methoxyethyl)-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione with MolForge

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Related Compounds

7-heptyl-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione
CID 2967939
7-benzyl-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione
CID 628923
8-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione
CID 7219690
1,3,7-trimethyl-8-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylmethylsulfanyl]purine-2,6-dione
CID 3573251
1,3-dimethyl-8-propoxy-7-propylpurine-2,6-dione
CID 664016
2-(8-ethoxy-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl dihydrogen phosphate
CID 10831551
8-(chloromethyl)-7-ethyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione
CID 82465077
7-(2-methoxyethyl)-1,3-dimethyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]purine-2,6-dione
CID 7011770
methyl (2S)-2-[7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylpropanoate
CID 97042242
8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione
CID 4893251
ethyl 2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetate
CID 3178512
7-(4-aminobutyl)-3-(2-methoxyethyl)-1,8-dimethylpurine-2,6-dione
CID 82465968

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione?
The IUPAC name of 7-(2-methoxyethyl)-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione (CID 6462253) is 7-(2-methoxyethyl)-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione.
What is the SMILES notation for 7-(2-methoxyethyl)-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione?
The canonical SMILES for 7-(2-methoxyethyl)-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione is COCCn1c(SC)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 7-(2-methoxyethyl)-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione?
The InChIKey is LHXGKBDULNJCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-13-8-7(9(16)14(2)11(13)17)15(5-6-18-3)10(12-8)19-4/h5-6H2,1-4H3.
What are the key properties of 7-(2-methoxyethyl)-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione?
7-(2-methoxyethyl)-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione has a molecular weight of 284.34 g/mol, XLogP of -0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione is sourced from PubChem (CID 6462253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).