9-ethyl-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]purine

C17H21N7 — CID 166601592

IUPAC9-ethyl-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]purine
SMILESCCn1cnc2c(N3CCN(Cc4cccnc4)CC3)ncnc21
InChIInChI=1S/C17H21N7/c1-2-23-13-21-15-16(23)19-12-20-17(15)24-8-6-22(7-9-24)11-14-4-3-5-18-10-14/h3-5,10,12-13H,2,6-9,11H2,1H3
InChIKeyUHZBPJDSNYTWGH-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.56
Rot. Bonds4

About 9-ethyl-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]purine

9-ethyl-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]purine (PubChem CID 166601592) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 9-ethyl-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]purine.

Molecular Properties

Compound Name9-ethyl-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]purine
PubChem CID166601592
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name9-ethyl-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]purine
SMILESCCn1cnc2c(N3CCN(Cc4cccnc4)CC3)ncnc21
InChIInChI=1S/C17H21N7/c1-2-23-13-21-15-16(23)19-12-20-17(15)24-8-6-22(7-9-24)11-14-4-3-5-18-10-14/h3-5,10,12-13H,2,6-9,11H2,1H3
InChIKeyUHZBPJDSNYTWGH-UHFFFAOYSA-N
XLogP1.56
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-ethyl-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]purine 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 9-ethyl-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]purine?
The IUPAC name of 9-ethyl-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]purine (CID 166601592) is 9-ethyl-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]purine.
What is the SMILES notation for 9-ethyl-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]purine?
The canonical SMILES for 9-ethyl-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]purine is CCn1cnc2c(N3CCN(Cc4cccnc4)CC3)ncnc21.
What is the InChIKey of 9-ethyl-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]purine?
The InChIKey is UHZBPJDSNYTWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-2-23-13-21-15-16(23)19-12-20-17(15)24-8-6-22(7-9-24)11-14-4-3-5-18-10-14/h3-5,10,12-13H,2,6-9,11H2,1H3.
What are the key properties of 9-ethyl-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]purine?
9-ethyl-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]purine has a molecular weight of 323.40 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]purine is sourced from PubChem (CID 166601592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).