3,7-diethyl-1-pyrrolidin-3-ylpurine-2,6-dione

C13H19N5O2 — CID 82466531

IUPAC3,7-diethyl-1-pyrrolidin-3-ylpurine-2,6-dione
SMILESCCn1cnc2c1c(=O)n(C1CCNC1)c(=O)n2CC
InChIInChI=1S/C13H19N5O2/c1-3-16-8-15-11-10(16)12(19)18(9-5-6-14-7-9)13(20)17(11)4-2/h8-9,14H,3-7H2,1-2H3
InChIKeyDZEMAEVAVVFXSL-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.07
Rot. Bonds3

About 3,7-diethyl-1-pyrrolidin-3-ylpurine-2,6-dione

3,7-diethyl-1-pyrrolidin-3-ylpurine-2,6-dione (PubChem CID 82466531) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3,7-diethyl-1-pyrrolidin-3-ylpurine-2,6-dione.

Molecular Properties

Compound Name3,7-diethyl-1-pyrrolidin-3-ylpurine-2,6-dione
PubChem CID82466531
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name3,7-diethyl-1-pyrrolidin-3-ylpurine-2,6-dione
SMILESCCn1cnc2c1c(=O)n(C1CCNC1)c(=O)n2CC
InChIInChI=1S/C13H19N5O2/c1-3-16-8-15-11-10(16)12(19)18(9-5-6-14-7-9)13(20)17(11)4-2/h8-9,14H,3-7H2,1-2H3
InChIKeyDZEMAEVAVVFXSL-UHFFFAOYSA-N
XLogP-0.07
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethyl-7-methyl-1-pyrrolidin-3-ylpurine-2,6-dione
CID 82466211
3-butan-2-yl-7-methyl-1-piperidin-4-ylpurine-2,6-dione
CID 82466382
3-(2-methoxyethyl)-7,8-dimethyl-1-pyrrolidin-3-ylpurine-2,6-dione
CID 82466435
1-cyclopropyl-7-ethyl-3-naphthalen-1-ylpurine-2,6-dione
CID 42862822
1-cyclopentyl-7-ethyl-3-(2-methoxyphenyl)purine-2,6-dione
CID 42862793
ethane;7-ethyl-1,3-dimethylpurine-2,6-dione
CID 145188731
7-(2-amino-2-methylpropyl)-1,3-diethylpurine-2,6-dione
CID 82465662
8-butyl-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione
CID 82465771
1-(3-aminopropyl)-3-butyl-7-ethylpurine-2,6-dione
CID 82466611
1,3-diethyl-7-(10-hydroxydecyl)purine-2,6-dione
CID 67820183
1-(2-aminoethyl)-3-butyl-7-ethylpurine-2,6-dione
CID 82466610
3-cyclopropyl-1-hexyl-7-(3-oxohexyl)purine-2,6-dione
CID 54028870

Frequently Asked Questions

What is the IUPAC name of 3,7-diethyl-1-pyrrolidin-3-ylpurine-2,6-dione?
The IUPAC name of 3,7-diethyl-1-pyrrolidin-3-ylpurine-2,6-dione (CID 82466531) is 3,7-diethyl-1-pyrrolidin-3-ylpurine-2,6-dione.
What is the SMILES notation for 3,7-diethyl-1-pyrrolidin-3-ylpurine-2,6-dione?
The canonical SMILES for 3,7-diethyl-1-pyrrolidin-3-ylpurine-2,6-dione is CCn1cnc2c1c(=O)n(C1CCNC1)c(=O)n2CC.
What is the InChIKey of 3,7-diethyl-1-pyrrolidin-3-ylpurine-2,6-dione?
The InChIKey is DZEMAEVAVVFXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-3-16-8-15-11-10(16)12(19)18(9-5-6-14-7-9)13(20)17(11)4-2/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 3,7-diethyl-1-pyrrolidin-3-ylpurine-2,6-dione?
3,7-diethyl-1-pyrrolidin-3-ylpurine-2,6-dione has a molecular weight of 277.33 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diethyl-1-pyrrolidin-3-ylpurine-2,6-dione is sourced from PubChem (CID 82466531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).