3-[(6-chloropurin-7-yl)methyl]cyclobutan-1-one

C10H9ClN4O — CID 139088844

IUPAC3-[(6-chloropurin-7-yl)methyl]cyclobutan-1-one
SMILESO=C1CC(Cn2cnc3ncnc(Cl)c32)C1
InChIInChI=1S/C10H9ClN4O/c11-9-8-10(13-4-12-9)14-5-15(8)3-6-1-7(16)2-6/h4-6H,1-3H2
InChIKeyHMPQEAGCKACQHG-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.46
Rot. Bonds2

About 3-[(6-chloropurin-7-yl)methyl]cyclobutan-1-one

3-[(6-chloropurin-7-yl)methyl]cyclobutan-1-one (PubChem CID 139088844) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 3-[(6-chloropurin-7-yl)methyl]cyclobutan-1-one.

Molecular Properties

Compound Name3-[(6-chloropurin-7-yl)methyl]cyclobutan-1-one
PubChem CID139088844
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name3-[(6-chloropurin-7-yl)methyl]cyclobutan-1-one
SMILESO=C1CC(Cn2cnc3ncnc(Cl)c32)C1
InChIInChI=1S/C10H9ClN4O/c11-9-8-10(13-4-12-9)14-5-15(8)3-6-1-7(16)2-6/h4-6H,1-3H2
InChIKeyHMPQEAGCKACQHG-UHFFFAOYSA-N
XLogP1.46
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ganoderpurine
CID 131594
9-(cyclobutylmethyl)-N,N-dimethylpurin-6-amine
CID 10633289
6-Chloro-9-cyclopentyl-9h-purine
CID 227572
2-((6-Chloro-9H-purin-9-yl)methyl)quinuclidin-3-one
CID 298414
9-Butyl-6-chloro-9h-purine
CID 227574
2-Butyl-6-chloro-9-methylpurine
CID 46895122
1-(6-chloro-9H-purin-9-yl)-2-propanone
CID 54267025
[(1R,3R)-3-(6-chloropurin-9-yl)-2-fluorocyclobutyl]methanol
CID 57565797
9-[(1R,3R)-3-(butoxymethyl)-2-fluorocyclobutyl]-6-chloropurine
CID 88578021
1-(6-Chloro-2-fluoropurin-9-yl)hexan-1-one
CID 164843055
1-(6-Chloro-2-fluoropurin-7-yl)hexan-1-one
CID 164843065
2,6-Dichloro-9-[(3,3-difluorocyclobutyl)methyl]purine
CID 176909398

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloropurin-7-yl)methyl]cyclobutan-1-one?
The IUPAC name of 3-[(6-chloropurin-7-yl)methyl]cyclobutan-1-one (CID 139088844) is 3-[(6-chloropurin-7-yl)methyl]cyclobutan-1-one.
What is the SMILES notation for 3-[(6-chloropurin-7-yl)methyl]cyclobutan-1-one?
The canonical SMILES for 3-[(6-chloropurin-7-yl)methyl]cyclobutan-1-one is O=C1CC(Cn2cnc3ncnc(Cl)c32)C1.
What is the InChIKey of 3-[(6-chloropurin-7-yl)methyl]cyclobutan-1-one?
The InChIKey is HMPQEAGCKACQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c11-9-8-10(13-4-12-9)14-5-15(8)3-6-1-7(16)2-6/h4-6H,1-3H2.
What are the key properties of 3-[(6-chloropurin-7-yl)methyl]cyclobutan-1-one?
3-[(6-chloropurin-7-yl)methyl]cyclobutan-1-one has a molecular weight of 236.66 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloropurin-7-yl)methyl]cyclobutan-1-one is sourced from PubChem (CID 139088844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).