9-ethyl-1,3-dimethyl-8-(piperazin-1-ylmethyl)purine-2,6-dione

C14H22N6O2 — CID 82463713

IUPAC9-ethyl-1,3-dimethyl-8-(piperazin-1-ylmethyl)purine-2,6-dione
SMILESCCn1c(CN2CCNCC2)nc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C14H22N6O2/c1-4-20-10(9-19-7-5-15-6-8-19)16-11-12(20)17(2)14(22)18(3)13(11)21/h15H,4-9H2,1-3H3
InChIKeyRJADHRXMUQKVSD-UHFFFAOYSA-N
MW306.37 g/mol
LogP-1.14
Rot. Bonds3

About 9-ethyl-1,3-dimethyl-8-(piperazin-1-ylmethyl)purine-2,6-dione

9-ethyl-1,3-dimethyl-8-(piperazin-1-ylmethyl)purine-2,6-dione (PubChem CID 82463713) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 9-ethyl-1,3-dimethyl-8-(piperazin-1-ylmethyl)purine-2,6-dione.

Molecular Properties

Compound Name9-ethyl-1,3-dimethyl-8-(piperazin-1-ylmethyl)purine-2,6-dione
PubChem CID82463713
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name9-ethyl-1,3-dimethyl-8-(piperazin-1-ylmethyl)purine-2,6-dione
SMILESCCn1c(CN2CCNCC2)nc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C14H22N6O2/c1-4-20-10(9-19-7-5-15-6-8-19)16-11-12(20)17(2)14(22)18(3)13(11)21/h15H,4-9H2,1-3H3
InChIKeyRJADHRXMUQKVSD-UHFFFAOYSA-N
XLogP-1.14
TPSA77.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-ethyl-1,3-dimethyl-8-(piperazin-1-ylmethyl)purine-2,6-dione
CID 82463879
9-ethyl-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione
CID 82463704
8-(aminomethyl)-9-ethyl-1,3-dimethylpurine-2,6-dione
CID 82463698
1,3-dimethyl-8-piperidin-4-yl-9-propylpurine-2,6-dione
CID 82463753
8-(bromomethyl)-1,3,9-trimethylpurine-2,6-dione
CID 82463686
1,3-dimethyl-2,6-dioxo-9-propylpurine-8-carboxylic acid
CID 82463758
1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 62318122
1,3-dimethyl-8-(methylamino)-9-propylpurine-2,6-dione
CID 82463756
8-(3-aminopropyl)-1,3-dimethyl-9-propylpurine-2,6-dione
CID 82463751
2-[(9-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)amino]acetic acid
CID 82463719
3-ethyl-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine
CID 63757473
8-amino-9-butyl-1,3-dimethylpurine-2,6-dione
CID 82463788

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-1,3-dimethyl-8-(piperazin-1-ylmethyl)purine-2,6-dione?
The IUPAC name of 9-ethyl-1,3-dimethyl-8-(piperazin-1-ylmethyl)purine-2,6-dione (CID 82463713) is 9-ethyl-1,3-dimethyl-8-(piperazin-1-ylmethyl)purine-2,6-dione.
What is the SMILES notation for 9-ethyl-1,3-dimethyl-8-(piperazin-1-ylmethyl)purine-2,6-dione?
The canonical SMILES for 9-ethyl-1,3-dimethyl-8-(piperazin-1-ylmethyl)purine-2,6-dione is CCn1c(CN2CCNCC2)nc2c(=O)n(C)c(=O)n(C)c21.
What is the InChIKey of 9-ethyl-1,3-dimethyl-8-(piperazin-1-ylmethyl)purine-2,6-dione?
The InChIKey is RJADHRXMUQKVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-4-20-10(9-19-7-5-15-6-8-19)16-11-12(20)17(2)14(22)18(3)13(11)21/h15H,4-9H2,1-3H3.
What are the key properties of 9-ethyl-1,3-dimethyl-8-(piperazin-1-ylmethyl)purine-2,6-dione?
9-ethyl-1,3-dimethyl-8-(piperazin-1-ylmethyl)purine-2,6-dione has a molecular weight of 306.37 g/mol, XLogP of -1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-1,3-dimethyl-8-(piperazin-1-ylmethyl)purine-2,6-dione is sourced from PubChem (CID 82463713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).