9-(2-methoxyethyl)-6-piperazin-1-ylpurine

C12H18N6O — CID 155941203

IUPAC9-(2-methoxyethyl)-6-piperazin-1-ylpurine
SMILESCOCCn1cnc2c(N3CCNCC3)ncnc21
InChIInChI=1S/C12H18N6O/c1-19-7-6-18-9-16-10-11(14-8-15-12(10)18)17-4-2-13-3-5-17/h8-9,13H,2-7H2,1H3
InChIKeyTVZIZBWTBXFQAI-UHFFFAOYSA-N
MW262.32 g/mol
LogP-0.12
Rot. Bonds4

About 9-(2-methoxyethyl)-6-piperazin-1-ylpurine

9-(2-methoxyethyl)-6-piperazin-1-ylpurine (PubChem CID 155941203) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 9-(2-methoxyethyl)-6-piperazin-1-ylpurine.

Molecular Properties

Compound Name9-(2-methoxyethyl)-6-piperazin-1-ylpurine
PubChem CID155941203
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name9-(2-methoxyethyl)-6-piperazin-1-ylpurine
SMILESCOCCn1cnc2c(N3CCNCC3)ncnc21
InChIInChI=1S/C12H18N6O/c1-19-7-6-18-9-16-10-11(14-8-15-12(10)18)17-4-2-13-3-5-17/h8-9,13H,2-7H2,1H3
InChIKeyTVZIZBWTBXFQAI-UHFFFAOYSA-N
XLogP-0.12
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine
CID 155798891
2-methoxy-9-(2-methoxyethyl)-6-piperazin-1-ylpurine;dihydrochloride
CID 70047208
6-[4-(4-fluorophenyl)piperazin-1-yl]-9-(2-methoxyethyl)purine
CID 154829257
1-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]ethanone
CID 166601299
9-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)purine
CID 165433645
9-(2-methoxyethyl)-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]purine
CID 163344885
2-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 155980592
9-(2-methoxyethyl)-6-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]purine
CID 155975537
2-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]pyrimidine-4-carbonitrile
CID 155798977
6-(5-cyclopropylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-9-(2-methoxyethyl)purine
CID 155798991
6-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 155975615
9-(oxolan-2-ylmethyl)-6-piperazin-1-ylpurine
CID 155941202

Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyethyl)-6-piperazin-1-ylpurine?
The IUPAC name of 9-(2-methoxyethyl)-6-piperazin-1-ylpurine (CID 155941203) is 9-(2-methoxyethyl)-6-piperazin-1-ylpurine.
What is the SMILES notation for 9-(2-methoxyethyl)-6-piperazin-1-ylpurine?
The canonical SMILES for 9-(2-methoxyethyl)-6-piperazin-1-ylpurine is COCCn1cnc2c(N3CCNCC3)ncnc21.
What is the InChIKey of 9-(2-methoxyethyl)-6-piperazin-1-ylpurine?
The InChIKey is TVZIZBWTBXFQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-19-7-6-18-9-16-10-11(14-8-15-12(10)18)17-4-2-13-3-5-17/h8-9,13H,2-7H2,1H3.
What are the key properties of 9-(2-methoxyethyl)-6-piperazin-1-ylpurine?
9-(2-methoxyethyl)-6-piperazin-1-ylpurine has a molecular weight of 262.32 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethyl)-6-piperazin-1-ylpurine is sourced from PubChem (CID 155941203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).