6-[4-(4-fluorophenyl)piperazin-1-yl]-9-(2-methoxyethyl)purine

C18H21FN6O — CID 154829257

IUPAC6-[4-(4-fluorophenyl)piperazin-1-yl]-9-(2-methoxyethyl)purine
SMILESCOCCn1cnc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21
InChIInChI=1S/C18H21FN6O/c1-26-11-10-25-13-22-16-17(20-12-21-18(16)25)24-8-6-23(7-9-24)15-4-2-14(19)3-5-15/h2-5,12-13H,6-11H2,1H3
InChIKeyYEGKBPPXLMTYOE-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.94
Rot. Bonds5

About 6-[4-(4-fluorophenyl)piperazin-1-yl]-9-(2-methoxyethyl)purine

6-[4-(4-fluorophenyl)piperazin-1-yl]-9-(2-methoxyethyl)purine (PubChem CID 154829257) has the molecular formula C18H21FN6O and a molecular weight of 356.41 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)piperazin-1-yl]-9-(2-methoxyethyl)purine.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)piperazin-1-yl]-9-(2-methoxyethyl)purine
PubChem CID154829257
Molecular FormulaC18H21FN6O
Molecular Weight356.41 g/mol
Exact Mass356.18
IUPAC Name6-[4-(4-fluorophenyl)piperazin-1-yl]-9-(2-methoxyethyl)purine
SMILESCOCCn1cnc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21
InChIInChI=1S/C18H21FN6O/c1-26-11-10-25-13-22-16-17(20-12-21-18(16)25)24-8-6-23(7-9-24)15-4-2-14(19)3-5-15/h2-5,12-13H,6-11H2,1H3
InChIKeyYEGKBPPXLMTYOE-UHFFFAOYSA-N
XLogP1.94
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-(2-methoxyethyl)-6-piperazin-1-ylpurine
CID 155941203
6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine
CID 155798891
9-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)purine
CID 165433645
1-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]ethanone
CID 166601299
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
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-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]purine
CID 155975537
6-chloro-9-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]purine
CID 21493397
9-ethyl-6-(4-phenylpiperazin-1-yl)purine
CID 155980574
6-(5-cyclopropylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-9-(2-methoxyethyl)purine
CID 155798991

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]-9-(2-methoxyethyl)purine?
The IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]-9-(2-methoxyethyl)purine (CID 154829257) is 6-[4-(4-fluorophenyl)piperazin-1-yl]-9-(2-methoxyethyl)purine.
What is the SMILES notation for 6-[4-(4-fluorophenyl)piperazin-1-yl]-9-(2-methoxyethyl)purine?
The canonical SMILES for 6-[4-(4-fluorophenyl)piperazin-1-yl]-9-(2-methoxyethyl)purine is COCCn1cnc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21.
What is the InChIKey of 6-[4-(4-fluorophenyl)piperazin-1-yl]-9-(2-methoxyethyl)purine?
The InChIKey is YEGKBPPXLMTYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6O/c1-26-11-10-25-13-22-16-17(20-12-21-18(16)25)24-8-6-23(7-9-24)15-4-2-14(19)3-5-15/h2-5,12-13H,6-11H2,1H3.
What are the key properties of 6-[4-(4-fluorophenyl)piperazin-1-yl]-9-(2-methoxyethyl)purine?
6-[4-(4-fluorophenyl)piperazin-1-yl]-9-(2-methoxyethyl)purine has a molecular weight of 356.41 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)piperazin-1-yl]-9-(2-methoxyethyl)purine is sourced from PubChem (CID 154829257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).