9-ethyl-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione

C13H20N6O2 — CID 82463704

IUPAC9-ethyl-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione
SMILESCCn1c(N2CCNCC2)nc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C13H20N6O2/c1-4-19-10-9(11(20)17(3)13(21)16(10)2)15-12(19)18-7-5-14-6-8-18/h14H,4-8H2,1-3H3
InChIKeyLSPOLZXBVMZEKK-UHFFFAOYSA-N
MW292.34 g/mol
LogP-1.14
Rot. Bonds2

About 9-ethyl-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione

9-ethyl-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione (PubChem CID 82463704) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 9-ethyl-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione.

Molecular Properties

Compound Name9-ethyl-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione
PubChem CID82463704
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name9-ethyl-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione
SMILESCCn1c(N2CCNCC2)nc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C13H20N6O2/c1-4-19-10-9(11(20)17(3)13(21)16(10)2)15-12(19)18-7-5-14-6-8-18/h14H,4-8H2,1-3H3
InChIKeyLSPOLZXBVMZEKK-UHFFFAOYSA-N
XLogP-1.14
TPSA77.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

9-ethyl-1,3-dimethyl-8-(piperazin-1-ylmethyl)purine-2,6-dione
CID 82463713
7-ethyl-1-methyl-8-piperazin-1-yl-2-(propan-2-ylamino)purin-6-one
CID 70859793
1,3-dimethyl-8-piperidin-4-yl-9-propylpurine-2,6-dione
CID 82463753
8-(aminomethyl)-9-ethyl-1,3-dimethylpurine-2,6-dione
CID 82463698
1,3,7-trimethyl-8-piperazin-1-ylpurine-2,6-dione
CID 706307
7-ethyl-1-methyl-8-piperazin-1-yl-2-propylsulfanylpurin-6-one
CID 70859997
7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione
CID 1084935
1,3-dimethyl-2,6-dioxo-9-propylpurine-8-carboxylic acid
CID 82463758
7-but-2-ynyl-1-methyl-8-piperazin-1-yl-3-propylpurine-2,6-dione
CID 10193542
7-ethyl-1,3-dimethyl-8-(piperazin-1-ylmethyl)purine-2,6-dione
CID 82463879
1,3-dimethyl-8-(methylamino)-9-propylpurine-2,6-dione
CID 82463756
2-[(9-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)amino]acetic acid
CID 82463719

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione?
The IUPAC name of 9-ethyl-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione (CID 82463704) is 9-ethyl-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione.
What is the SMILES notation for 9-ethyl-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione?
The canonical SMILES for 9-ethyl-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione is CCn1c(N2CCNCC2)nc2c(=O)n(C)c(=O)n(C)c21.
What is the InChIKey of 9-ethyl-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione?
The InChIKey is LSPOLZXBVMZEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-4-19-10-9(11(20)17(3)13(21)16(10)2)15-12(19)18-7-5-14-6-8-18/h14H,4-8H2,1-3H3.
What are the key properties of 9-ethyl-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione?
9-ethyl-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione has a molecular weight of 292.34 g/mol, XLogP of -1.14, 2 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-ylpurine-2,6-dione is sourced from PubChem (CID 82463704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).