6-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-7H-purine

C16H22N8 — CID 77092371

IUPAC6-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-7H-purine
SMILESCCCn1ccnc1CN1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C16H22N8/c1-2-4-23-5-3-17-13(23)10-22-6-8-24(9-7-22)16-14-15(19-11-18-14)20-12-21-16/h3,5,11-12H,2,4,6-10H2,1H3,(H,18,19,20,21)
InChIKeyJOINWGGMJDFDNN-UHFFFAOYSA-N
MW326.41 g/mol
LogP1.28
Rot. Bonds5

About 6-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-7H-purine

6-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-7H-purine (PubChem CID 77092371) has the molecular formula C16H22N8 and a molecular weight of 326.41 g/mol. Its IUPAC name is 6-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-7H-purine.

Molecular Properties

Compound Name6-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-7H-purine
PubChem CID77092371
Molecular FormulaC16H22N8
Molecular Weight326.41 g/mol
Exact Mass326.20
IUPAC Name6-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-7H-purine
SMILESCCCn1ccnc1CN1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C16H22N8/c1-2-4-23-5-3-17-13(23)10-22-6-8-24(9-7-22)16-14-15(19-11-18-14)20-12-21-16/h3,5,11-12H,2,4,6-10H2,1H3,(H,18,19,20,21)
InChIKeyJOINWGGMJDFDNN-UHFFFAOYSA-N
XLogP1.28
TPSA78.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-7H-purine
CID 77087305
2-methyl-3-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrazine
CID 56701973
6-[4-[(2-propylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-7H-purine
CID 50982944
6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
CID 23605644
5-[4-(7H-purin-6-yl)piperazin-1-yl]pentan-1-amine
CID 43252544
6-(4-benzyl-1,4-diazepan-1-yl)-7H-purine
CID 44776748
methyl 3-[4-(7H-purin-6-yl)piperazin-1-yl]propanoate
CID 78982809
4-tert-butyl-2-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 171334636
5-fluoro-2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine
CID 50972370
1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol
CID 138385634
6-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-7H-purine
CID 166605581
4-(7H-purin-6-yl)piperazine-1-carbaldehyde
CID 118720796

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-7H-purine?
The IUPAC name of 6-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-7H-purine (CID 77092371) is 6-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-7H-purine.
What is the SMILES notation for 6-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-7H-purine?
The canonical SMILES for 6-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-7H-purine is CCCn1ccnc1CN1CCN(c2ncnc3nc[nH]c23)CC1.
What is the InChIKey of 6-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-7H-purine?
The InChIKey is JOINWGGMJDFDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8/c1-2-4-23-5-3-17-13(23)10-22-6-8-24(9-7-22)16-14-15(19-11-18-14)20-12-21-16/h3,5,11-12H,2,4,6-10H2,1H3,(H,18,19,20,21).
What are the key properties of 6-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-7H-purine?
6-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-7H-purine has a molecular weight of 326.41 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-7H-purine is sourced from PubChem (CID 77092371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).