9-imidazol-1-ylpurine

C8H6N6 — CID 174561773

IUPAC9-imidazol-1-ylpurine
SMILESc1cn(-n2cnc3cncnc32)cn1
InChIInChI=1S/C8H6N6/c1-2-13(5-9-1)14-6-12-7-3-10-4-11-8(7)14/h1-6H
InChIKeyCXABWTRKEKMOAJ-UHFFFAOYSA-N
MW186.18 g/mol
LogP0.33
Rot. Bonds1

About 9-imidazol-1-ylpurine

9-imidazol-1-ylpurine (PubChem CID 174561773) has the molecular formula C8H6N6 and a molecular weight of 186.18 g/mol. Its IUPAC name is 9-imidazol-1-ylpurine.

Molecular Properties

Compound Name9-imidazol-1-ylpurine
PubChem CID174561773
Molecular FormulaC8H6N6
Molecular Weight186.18 g/mol
Exact Mass186.07
IUPAC Name9-imidazol-1-ylpurine
SMILESc1cn(-n2cnc3cncnc32)cn1
InChIInChI=1S/C8H6N6/c1-2-13(5-9-1)14-6-12-7-3-10-4-11-8(7)14/h1-6H
InChIKeyCXABWTRKEKMOAJ-UHFFFAOYSA-N
XLogP0.33
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-purin-9-ylimidazol-4-yl)ethanamine
CID 67607275
9-iodopurine
CID 70189684
9-bromopurine
CID 91356605
9-methoxypurine
CID 56998918
9-chloropurine;hydrochloride
CID 69266784
2-purin-9-ylethanamine
CID 86106662
sodium;hydride;9-hydroxypurine
CID 174050509
9-(3-chloropropyl)purine
CID 22715671
9-(3-methylbutyl)purine
CID 20771994
ethane-1,2-diol;purin-9-amine
CID 174612658
9-(2-chloropropan-2-yl)purine
CID 174393193
purin-9-yl sulfite
CID 57046248

Frequently Asked Questions

What is the IUPAC name of 9-imidazol-1-ylpurine?
The IUPAC name of 9-imidazol-1-ylpurine (CID 174561773) is 9-imidazol-1-ylpurine.
What is the SMILES notation for 9-imidazol-1-ylpurine?
The canonical SMILES for 9-imidazol-1-ylpurine is c1cn(-n2cnc3cncnc32)cn1.
What is the InChIKey of 9-imidazol-1-ylpurine?
The InChIKey is CXABWTRKEKMOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N6/c1-2-13(5-9-1)14-6-12-7-3-10-4-11-8(7)14/h1-6H.
What are the key properties of 9-imidazol-1-ylpurine?
9-imidazol-1-ylpurine has a molecular weight of 186.18 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-imidazol-1-ylpurine is sourced from PubChem (CID 174561773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).