2-methoxy-9-(2-methoxyethyl)-6-piperazin-1-ylpurine;dihydrochloride

C13H22Cl2N6O2 — CID 70047208

IUPAC2-methoxy-9-(2-methoxyethyl)-6-piperazin-1-ylpurine;dihydrochloride
SMILESCOCCn1cnc2c(N3CCNCC3)nc(OC)nc21.Cl.Cl
InChIInChI=1S/C13H20N6O2.2ClH/c1-20-8-7-19-9-15-10-11(18-5-3-14-4-6-18)16-13(21-2)17-12(10)19;;/h9,14H,3-8H2,1-2H3;2*1H
InChIKeyFEVHMYXBTQWICB-UHFFFAOYSA-N
MW365.27 g/mol
LogP0.73
Rot. Bonds5

About 2-methoxy-9-(2-methoxyethyl)-6-piperazin-1-ylpurine;dihydrochloride

2-methoxy-9-(2-methoxyethyl)-6-piperazin-1-ylpurine;dihydrochloride (PubChem CID 70047208) has the molecular formula C13H22Cl2N6O2 and a molecular weight of 365.27 g/mol. Its IUPAC name is 2-methoxy-9-(2-methoxyethyl)-6-piperazin-1-ylpurine;dihydrochloride.

Molecular Properties

Compound Name2-methoxy-9-(2-methoxyethyl)-6-piperazin-1-ylpurine;dihydrochloride
PubChem CID70047208
Molecular FormulaC13H22Cl2N6O2
Molecular Weight365.27 g/mol
Exact Mass364.12
IUPAC Name2-methoxy-9-(2-methoxyethyl)-6-piperazin-1-ylpurine;dihydrochloride
SMILESCOCCn1cnc2c(N3CCNCC3)nc(OC)nc21.Cl.Cl
InChIInChI=1S/C13H20N6O2.2ClH/c1-20-8-7-19-9-15-10-11(18-5-3-14-4-6-18)16-13(21-2)17-12(10)19;;/h9,14H,3-8H2,1-2H3;2*1H
InChIKeyFEVHMYXBTQWICB-UHFFFAOYSA-N
XLogP0.73
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-9-(2-methoxyethyl)-6-piperazin-1-ylpurine;dihydrochloride?
The IUPAC name of 2-methoxy-9-(2-methoxyethyl)-6-piperazin-1-ylpurine;dihydrochloride (CID 70047208) is 2-methoxy-9-(2-methoxyethyl)-6-piperazin-1-ylpurine;dihydrochloride.
What is the SMILES notation for 2-methoxy-9-(2-methoxyethyl)-6-piperazin-1-ylpurine;dihydrochloride?
The canonical SMILES for 2-methoxy-9-(2-methoxyethyl)-6-piperazin-1-ylpurine;dihydrochloride is COCCn1cnc2c(N3CCNCC3)nc(OC)nc21.Cl.Cl.
What is the InChIKey of 2-methoxy-9-(2-methoxyethyl)-6-piperazin-1-ylpurine;dihydrochloride?
The InChIKey is FEVHMYXBTQWICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2.2ClH/c1-20-8-7-19-9-15-10-11(18-5-3-14-4-6-18)16-13(21-2)17-12(10)19;;/h9,14H,3-8H2,1-2H3;2*1H.
What are the key properties of 2-methoxy-9-(2-methoxyethyl)-6-piperazin-1-ylpurine;dihydrochloride?
2-methoxy-9-(2-methoxyethyl)-6-piperazin-1-ylpurine;dihydrochloride has a molecular weight of 365.27 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-9-(2-methoxyethyl)-6-piperazin-1-ylpurine;dihydrochloride is sourced from PubChem (CID 70047208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).