9-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)purine

C17H21N7O — CID 165433645

IUPAC9-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)purine
SMILESCOCCn1cnc2c(N3CCN(c4ccccn4)CC3)ncnc21
InChIInChI=1S/C17H21N7O/c1-25-11-10-24-13-21-15-16(19-12-20-17(15)24)23-8-6-22(7-9-23)14-4-2-3-5-18-14/h2-5,12-13H,6-11H2,1H3
InChIKeyUZSUJAWUUJWOBW-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.19
Rot. Bonds5

About 9-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)purine

9-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)purine (PubChem CID 165433645) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 9-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)purine.

Molecular Properties

Compound Name9-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)purine
PubChem CID165433645
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name9-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)purine
SMILESCOCCn1cnc2c(N3CCN(c4ccccn4)CC3)ncnc21
InChIInChI=1S/C17H21N7O/c1-25-11-10-24-13-21-15-16(19-12-20-17(15)24)23-8-6-22(7-9-23)14-4-2-3-5-18-14/h2-5,12-13H,6-11H2,1H3
InChIKeyUZSUJAWUUJWOBW-UHFFFAOYSA-N
XLogP1.19
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 155980592
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
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
2-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]pyrimidine-4-carbonitrile
CID 155798977
6-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 155975615
9-(2-methoxyethyl)-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]purine
CID 163344885
9-(2-methoxyethyl)-6-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]purine
CID 155975537
9-ethyl-6-(4-phenylpiperazin-1-yl)purine
CID 155980574
(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
9-(2-methoxyethyl)-6-(5-pyridin-3-ylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)purine
CID 155799535

Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)purine?
The IUPAC name of 9-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)purine (CID 165433645) is 9-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)purine.
What is the SMILES notation for 9-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)purine?
The canonical SMILES for 9-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)purine is COCCn1cnc2c(N3CCN(c4ccccn4)CC3)ncnc21.
What is the InChIKey of 9-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)purine?
The InChIKey is UZSUJAWUUJWOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-25-11-10-24-13-21-15-16(19-12-20-17(15)24)23-8-6-22(7-9-23)14-4-2-3-5-18-14/h2-5,12-13H,6-11H2,1H3.
What are the key properties of 9-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)purine?
9-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)purine has a molecular weight of 339.40 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)purine is sourced from PubChem (CID 165433645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).