7-(2-ethoxyethyl)-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione

C15H23N5O3 — CID 3157420

IUPAC7-(2-ethoxyethyl)-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione
SMILESCCOCCn1c(N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C15H23N5O3/c1-4-23-10-9-20-11-12(16-14(20)19-7-5-6-8-19)17(2)15(22)18(3)13(11)21/h4-10H2,1-3H3
InChIKeyMYOMGYBWLLCHFS-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.07
Rot. Bonds5

About 7-(2-ethoxyethyl)-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione

7-(2-ethoxyethyl)-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione (PubChem CID 3157420) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 7-(2-ethoxyethyl)-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione.

Molecular Properties

Compound Name7-(2-ethoxyethyl)-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione
PubChem CID3157420
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name7-(2-ethoxyethyl)-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione
SMILESCCOCCn1c(N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C15H23N5O3/c1-4-23-10-9-20-11-12(16-14(20)19-7-5-6-8-19)17(2)15(22)18(3)13(11)21/h4-10H2,1-3H3
InChIKeyMYOMGYBWLLCHFS-UHFFFAOYSA-N
XLogP0.07
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-ethoxyethyl)-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione?
The IUPAC name of 7-(2-ethoxyethyl)-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione (CID 3157420) is 7-(2-ethoxyethyl)-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione.
What is the SMILES notation for 7-(2-ethoxyethyl)-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione?
The canonical SMILES for 7-(2-ethoxyethyl)-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione is CCOCCn1c(N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 7-(2-ethoxyethyl)-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione?
The InChIKey is MYOMGYBWLLCHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-4-23-10-9-20-11-12(16-14(20)19-7-5-6-8-19)17(2)15(22)18(3)13(11)21/h4-10H2,1-3H3.
What are the key properties of 7-(2-ethoxyethyl)-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione?
7-(2-ethoxyethyl)-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione has a molecular weight of 321.38 g/mol, XLogP of 0.07, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethoxyethyl)-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione is sourced from PubChem (CID 3157420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).