7-butylpurine

C9H12N4 — CID 54540846

IUPAC7-butylpurine
SMILESCCCCn1cnc2ncncc21
InChIInChI=1S/C9H12N4/c1-2-3-4-13-7-12-9-8(13)5-10-6-11-9/h5-7H,2-4H2,1H3
InChIKeyRUTMAIVZDVDBTL-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.63
Rot. Bonds3

About 7-butylpurine

7-butylpurine (PubChem CID 54540846) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 7-butylpurine.

Molecular Properties

Compound Name7-butylpurine
PubChem CID54540846
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name7-butylpurine
SMILESCCCCn1cnc2ncncc21
InChIInChI=1S/C9H12N4/c1-2-3-4-13-7-12-9-8(13)5-10-6-11-9/h5-7H,2-4H2,1H3
InChIKeyRUTMAIVZDVDBTL-UHFFFAOYSA-N
XLogP1.63
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-purin-7-ylpentan-2-one
CID 167611303
1-butyl-6-pyridin-4-ylimidazo[4,5-b]pyridine
CID 23454714
7-propylsulfonylpurine
CID 139270307
7-[(4,5,6-trichloropyrimidin-2-yl)methyl]purine
CID 87337380
1-pentylimidazo[4,5-c]pyridine
CID 142023174
7-(trideuteriomethyl)purine
CID 91144219
bis(1-butylbenzimidazole);ethane
CID 142164287
1-butyl-4,5-dimethylimidazole
CID 18671206
7-pentadecylpurin-6-amine;hydrochloride
CID 67926278
1-propylimidazo[4,5-b]pyridine
CID 11768867
2-butyl-7-(4-phenylbutyl)purine
CID 22115462
2-butyl-7-(2-phenylethyl)purine
CID 22115385

Frequently Asked Questions

What is the IUPAC name of 7-butylpurine?
The IUPAC name of 7-butylpurine (CID 54540846) is 7-butylpurine.
What is the SMILES notation for 7-butylpurine?
The canonical SMILES for 7-butylpurine is CCCCn1cnc2ncncc21.
What is the InChIKey of 7-butylpurine?
The InChIKey is RUTMAIVZDVDBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-2-3-4-13-7-12-9-8(13)5-10-6-11-9/h5-7H,2-4H2,1H3.
What are the key properties of 7-butylpurine?
7-butylpurine has a molecular weight of 176.22 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butylpurine is sourced from PubChem (CID 54540846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).