6-piperazin-1-yl-9-propylpurine

C12H18N6 — CID 46228441

IUPAC6-piperazin-1-yl-9-propylpurine
SMILESCCCn1cnc2c(N3CCNCC3)ncnc21
InChIInChI=1S/C12H18N6/c1-2-5-18-9-16-10-11(14-8-15-12(10)18)17-6-3-13-4-7-17/h8-9,13H,2-7H2,1H3
InChIKeyBWJIAIMMFVYUQA-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.65
Rot. Bonds3

About 6-piperazin-1-yl-9-propylpurine

6-piperazin-1-yl-9-propylpurine (PubChem CID 46228441) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 6-piperazin-1-yl-9-propylpurine.

Molecular Properties

Compound Name6-piperazin-1-yl-9-propylpurine
PubChem CID46228441
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name6-piperazin-1-yl-9-propylpurine
SMILESCCCn1cnc2c(N3CCNCC3)ncnc21
InChIInChI=1S/C12H18N6/c1-2-5-18-9-16-10-11(14-8-15-12(10)18)17-6-3-13-4-7-17/h8-9,13H,2-7H2,1H3
InChIKeyBWJIAIMMFVYUQA-UHFFFAOYSA-N
XLogP0.65
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-piperazin-1-yl-9-propylpurine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-yl-9-propylpurine?
The IUPAC name of 6-piperazin-1-yl-9-propylpurine (CID 46228441) is 6-piperazin-1-yl-9-propylpurine.
What is the SMILES notation for 6-piperazin-1-yl-9-propylpurine?
The canonical SMILES for 6-piperazin-1-yl-9-propylpurine is CCCn1cnc2c(N3CCNCC3)ncnc21.
What is the InChIKey of 6-piperazin-1-yl-9-propylpurine?
The InChIKey is BWJIAIMMFVYUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-2-5-18-9-16-10-11(14-8-15-12(10)18)17-6-3-13-4-7-17/h8-9,13H,2-7H2,1H3.
What are the key properties of 6-piperazin-1-yl-9-propylpurine?
6-piperazin-1-yl-9-propylpurine has a molecular weight of 246.32 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-yl-9-propylpurine is sourced from PubChem (CID 46228441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).