1-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]ethanone

C14H20N6O2 — CID 166601299

IUPAC1-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]ethanone
SMILESCOCCn1cnc2c(N3CCN(C(C)=O)CC3)ncnc21
InChIInChI=1S/C14H20N6O2/c1-11(21)18-3-5-19(6-4-18)13-12-14(16-9-15-13)20(10-17-12)7-8-22-2/h9-10H,3-8H2,1-2H3
InChIKeyZMSDDQDUWWKFFK-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.14
Rot. Bonds4

About 1-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]ethanone

1-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]ethanone (PubChem CID 166601299) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]ethanone
PubChem CID166601299
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name1-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]ethanone
SMILESCOCCn1cnc2c(N3CCN(C(C)=O)CC3)ncnc21
InChIInChI=1S/C14H20N6O2/c1-11(21)18-3-5-19(6-4-18)13-12-14(16-9-15-13)20(10-17-12)7-8-22-2/h9-10H,3-8H2,1-2H3
InChIKeyZMSDDQDUWWKFFK-UHFFFAOYSA-N
XLogP0.14
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.14
H-Bond Donors ≤ 50
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
9-(2-methoxyethyl)-6-piperazin-1-ylpurine
CID 155941203
9-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)purine
CID 165433645
6-[4-(4-fluorophenyl)piperazin-1-yl]-9-(2-methoxyethyl)purine
CID 154829257
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
(3-fluoro-2-pyridinyl)-[2-[9-(2-methoxyethyl)purin-6-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 155799370
6-(5-cyclopropylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-9-(2-methoxyethyl)purine
CID 155798991
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-[9-(2-methoxyethyl)purin-6-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 155799377
6-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 155975615

Frequently Asked Questions

What is the IUPAC name of 1-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]ethanone (CID 166601299) is 1-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]ethanone is COCCn1cnc2c(N3CCN(C(C)=O)CC3)ncnc21.
What is the InChIKey of 1-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]ethanone?
The InChIKey is ZMSDDQDUWWKFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-11(21)18-3-5-19(6-4-18)13-12-14(16-9-15-13)20(10-17-12)7-8-22-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]ethanone?
1-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]ethanone has a molecular weight of 304.35 g/mol, XLogP of 0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 166601299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).