3-(2-methoxyethyl)-7-(pyrrolidin-2-ylmethyl)purine-2,6-dione

C13H19N5O3 — CID 82465645

IUPAC3-(2-methoxyethyl)-7-(pyrrolidin-2-ylmethyl)purine-2,6-dione
SMILESCOCCn1c(=O)[nH]c(=O)c2c1ncn2CC1CCCN1
InChIInChI=1S/C13H19N5O3/c1-21-6-5-18-11-10(12(19)16-13(18)20)17(8-15-11)7-9-3-2-4-14-9/h8-9,14H,2-7H2,1H3,(H,16,19,20)
InChIKeyUOWATNJJLRNJJH-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.72
Rot. Bonds5

About 3-(2-methoxyethyl)-7-(pyrrolidin-2-ylmethyl)purine-2,6-dione

3-(2-methoxyethyl)-7-(pyrrolidin-2-ylmethyl)purine-2,6-dione (PubChem CID 82465645) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-7-(pyrrolidin-2-ylmethyl)purine-2,6-dione.

Molecular Properties

Compound Name3-(2-methoxyethyl)-7-(pyrrolidin-2-ylmethyl)purine-2,6-dione
PubChem CID82465645
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name3-(2-methoxyethyl)-7-(pyrrolidin-2-ylmethyl)purine-2,6-dione
SMILESCOCCn1c(=O)[nH]c(=O)c2c1ncn2CC1CCCN1
InChIInChI=1S/C13H19N5O3/c1-21-6-5-18-11-10(12(19)16-13(18)20)17(8-15-11)7-9-3-2-4-14-9/h8-9,14H,2-7H2,1H3,(H,16,19,20)
InChIKeyUOWATNJJLRNJJH-UHFFFAOYSA-N
XLogP-0.72
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethyl-7-(2-piperidin-2-ylethyl)purine-2,6-dione
CID 82465600
3-(3-methoxypropyl)-7-methyl-8-pyrrolidin-2-ylpurine-2,6-dione
CID 82464321
7-(3-aminopropyl)-3-(3-methoxypropyl)purine-2,6-dione
CID 82465650
3-butyl-7-(piperidin-4-ylmethyl)purine-2,6-dione
CID 82465638
3-(3-methoxypropyl)-7-pyrrolidin-3-ylpurine-2,6-dione
CID 82465656
3-(2-methoxyethyl)-7-methyl-8-piperidin-4-ylpurine-2,6-dione
CID 82464231
7-methyl-3-propyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione
CID 82466277
5-chloro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione
CID 66423367
7-benzyl-8-cyclopentyl-3-(2-methoxyethyl)purine-2,6-dione
CID 19699213
1-methyl-5-(piperidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 63276978
5-ethyl-1-(piperidin-2-ylmethyl)pyrimidine-2,4-dione
CID 66329320
7-(1-aminopropan-2-yl)-3-(3-methoxypropyl)purine-2,6-dione
CID 82465652

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-7-(pyrrolidin-2-ylmethyl)purine-2,6-dione?
The IUPAC name of 3-(2-methoxyethyl)-7-(pyrrolidin-2-ylmethyl)purine-2,6-dione (CID 82465645) is 3-(2-methoxyethyl)-7-(pyrrolidin-2-ylmethyl)purine-2,6-dione.
What is the SMILES notation for 3-(2-methoxyethyl)-7-(pyrrolidin-2-ylmethyl)purine-2,6-dione?
The canonical SMILES for 3-(2-methoxyethyl)-7-(pyrrolidin-2-ylmethyl)purine-2,6-dione is COCCn1c(=O)[nH]c(=O)c2c1ncn2CC1CCCN1.
What is the InChIKey of 3-(2-methoxyethyl)-7-(pyrrolidin-2-ylmethyl)purine-2,6-dione?
The InChIKey is UOWATNJJLRNJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-21-6-5-18-11-10(12(19)16-13(18)20)17(8-15-11)7-9-3-2-4-14-9/h8-9,14H,2-7H2,1H3,(H,16,19,20).
What are the key properties of 3-(2-methoxyethyl)-7-(pyrrolidin-2-ylmethyl)purine-2,6-dione?
3-(2-methoxyethyl)-7-(pyrrolidin-2-ylmethyl)purine-2,6-dione has a molecular weight of 293.33 g/mol, XLogP of -0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-7-(pyrrolidin-2-ylmethyl)purine-2,6-dione is sourced from PubChem (CID 82465645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).