7-(2-methoxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione

C13H19N5O3 — CID 2988615

IUPAC7-(2-methoxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
SMILESCOCCn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C13H19N5O3/c1-16-10-9(11(19)15-13(16)20)18(7-8-21-2)12(14-10)17-5-3-4-6-17/h3-8H2,1-2H3,(H,15,19,20)
InChIKeyJZYVTSQUEBQTRU-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.33
Rot. Bonds4

About 7-(2-methoxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione

7-(2-methoxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione (PubChem CID 2988615) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione.

Molecular Properties

Compound Name7-(2-methoxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
PubChem CID2988615
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name7-(2-methoxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
SMILESCOCCn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C13H19N5O3/c1-16-10-9(11(19)15-13(16)20)18(7-8-21-2)12(14-10)17-5-3-4-6-17/h3-8H2,1-2H3,(H,15,19,20)
InChIKeyJZYVTSQUEBQTRU-UHFFFAOYSA-N
XLogP-0.33
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-7-[2-[2-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)ethoxy]ethyl]-8-piperidin-1-ylpurine-2,6-dione
CID 3920803
1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide
CID 3151075
8-(3,5-dimethylpiperidin-1-yl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
CID 3157419
8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
CID 6996086
methyl 2-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)acetate
CID 3505877
7-(2-hydrazinylethyl)-3-methyl-8-piperidin-1-ylpurine-2,6-dione
CID 5128003
3-methyl-7-[2-methyl-3-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)propyl]-8-piperidin-1-ylpurine-2,6-dione
CID 44967650
7-[2-(azepan-1-ium-1-yl)ethyl]-8-(azepan-1-yl)-3-methylpurine-2,6-dione
CID 6965336
8-(azepan-1-yl)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
CID 741827
7-benzyl-3-methyl-8-piperidin-1-ylpurine-2,6-dione
CID 679995
7-[(4-fluorophenyl)methyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
CID 699814
7-[(2R)-3-chloro-2-hydroxypropyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione
CID 677803

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione?
The IUPAC name of 7-(2-methoxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione (CID 2988615) is 7-(2-methoxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione.
What is the SMILES notation for 7-(2-methoxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione?
The canonical SMILES for 7-(2-methoxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione is COCCn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C.
What is the InChIKey of 7-(2-methoxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione?
The InChIKey is JZYVTSQUEBQTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-16-10-9(11(19)15-13(16)20)18(7-8-21-2)12(14-10)17-5-3-4-6-17/h3-8H2,1-2H3,(H,15,19,20).
What are the key properties of 7-(2-methoxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione?
7-(2-methoxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione has a molecular weight of 293.33 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione is sourced from PubChem (CID 2988615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).