8-butyl-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione

C15H23N5O2 — CID 82465771

IUPAC8-butyl-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione
SMILESCCCCc1nc2c(c(=O)n(C)c(=O)n2C)n1C1CCNC1
InChIInChI=1S/C15H23N5O2/c1-4-5-6-11-17-13-12(20(11)10-7-8-16-9-10)14(21)19(3)15(22)18(13)2/h10,16H,4-9H2,1-3H3
InChIKeyFRWUEYQWHVAYOE-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.31
Rot. Bonds4

About 8-butyl-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione

8-butyl-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione (PubChem CID 82465771) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 8-butyl-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione.

Molecular Properties

Compound Name8-butyl-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione
PubChem CID82465771
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name8-butyl-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione
SMILESCCCCc1nc2c(c(=O)n(C)c(=O)n2C)n1C1CCNC1
InChIInChI=1S/C15H23N5O2/c1-4-5-6-11-17-13-12(20(11)10-7-8-16-9-10)14(21)19(3)15(22)18(13)2/h10,16H,4-9H2,1-3H3
InChIKeyFRWUEYQWHVAYOE-UHFFFAOYSA-N
XLogP0.31
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-(methoxymethyl)-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione
CID 82465803
1,3-dimethyl-7-piperidin-4-yl-8-propan-2-ylpurine-2,6-dione
CID 82465740
8-(3-aminopropyl)-7-butyl-1,3-dimethylpurine-2,6-dione
CID 82463916
8-(methoxymethyl)-3,7-dimethyl-1-piperidin-4-ylpurine-2,6-dione
CID 82466184
7-(3-aminopropyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 82465748
3-ethyl-7-methyl-1-pyrrolidin-3-ylpurine-2,6-dione
CID 82466211
7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 51058603
3,7-diethyl-1-pyrrolidin-3-ylpurine-2,6-dione
CID 82466531
7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione
CID 154715805
7-ethyl-1,3-dimethyl-8-(piperazin-1-ylmethyl)purine-2,6-dione
CID 82463879
3-(2-methoxyethyl)-7,8-dimethyl-1-pyrrolidin-3-ylpurine-2,6-dione
CID 82466435
7-butyl-1,3-dimethyl-8-[[(2R)-2-methylpiperidin-1-yl]methyl]purine-2,6-dione
CID 7006328

Frequently Asked Questions

What is the IUPAC name of 8-butyl-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione?
The IUPAC name of 8-butyl-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione (CID 82465771) is 8-butyl-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione.
What is the SMILES notation for 8-butyl-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione?
The canonical SMILES for 8-butyl-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione is CCCCc1nc2c(c(=O)n(C)c(=O)n2C)n1C1CCNC1.
What is the InChIKey of 8-butyl-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione?
The InChIKey is FRWUEYQWHVAYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-4-5-6-11-17-13-12(20(11)10-7-8-16-9-10)14(21)19(3)15(22)18(13)2/h10,16H,4-9H2,1-3H3.
What are the key properties of 8-butyl-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione?
8-butyl-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione has a molecular weight of 305.38 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione is sourced from PubChem (CID 82465771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).