2-butyl-7-(2-phenylethyl)purine

C17H20N4 — CID 22115385

IUPAC2-butyl-7-(2-phenylethyl)purine
SMILESCCCCc1ncc2c(ncn2CCc2ccccc2)n1
InChIInChI=1S/C17H20N4/c1-2-3-9-16-18-12-15-17(20-16)19-13-21(15)11-10-14-7-5-4-6-8-14/h4-8,12-13H,2-3,9-11H2,1H3
InChIKeyAEILWDAAQAITHW-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.41
Rot. Bonds6

About 2-butyl-7-(2-phenylethyl)purine

2-butyl-7-(2-phenylethyl)purine (PubChem CID 22115385) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-butyl-7-(2-phenylethyl)purine.

Molecular Properties

Compound Name2-butyl-7-(2-phenylethyl)purine
PubChem CID22115385
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name2-butyl-7-(2-phenylethyl)purine
SMILESCCCCc1ncc2c(ncn2CCc2ccccc2)n1
InChIInChI=1S/C17H20N4/c1-2-3-9-16-18-12-15-17(20-16)19-13-21(15)11-10-14-7-5-4-6-8-14/h4-8,12-13H,2-3,9-11H2,1H3
InChIKeyAEILWDAAQAITHW-UHFFFAOYSA-N
XLogP3.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-7-(4-phenylbutyl)purine
CID 22115462
9-benzyl-2-pentylpurine
CID 54073118
1-(2-phenylethyl)benzimidazole;hydrochloride
CID 54604941
1-benzyl-6-butylpyrazolo[3,4-d]pyrimidine
CID 22115454
N-(7-benzyl-2-butylpurin-6-yl)pyridine-3-carboxamide
CID 22115403
butylbenzene;carbonic acid
CID 158278492
7-butylpurine
CID 54540846
butylbenzene;propylbenzene
CID 142022125
pentylbenzene;phosphorous acid
CID 174842783
bis(1-butylbenzimidazole);ethane
CID 142164287
1-benzyl-5-butylimidazole
CID 10059100
1-(18-phenyloctadecyl)benzimidazole
CID 67925718

Frequently Asked Questions

What is the IUPAC name of 2-butyl-7-(2-phenylethyl)purine?
The IUPAC name of 2-butyl-7-(2-phenylethyl)purine (CID 22115385) is 2-butyl-7-(2-phenylethyl)purine.
What is the SMILES notation for 2-butyl-7-(2-phenylethyl)purine?
The canonical SMILES for 2-butyl-7-(2-phenylethyl)purine is CCCCc1ncc2c(ncn2CCc2ccccc2)n1.
What is the InChIKey of 2-butyl-7-(2-phenylethyl)purine?
The InChIKey is AEILWDAAQAITHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-3-9-16-18-12-15-17(20-16)19-13-21(15)11-10-14-7-5-4-6-8-14/h4-8,12-13H,2-3,9-11H2,1H3.
What are the key properties of 2-butyl-7-(2-phenylethyl)purine?
2-butyl-7-(2-phenylethyl)purine has a molecular weight of 280.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7-(2-phenylethyl)purine is sourced from PubChem (CID 22115385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).