3-(4-fluorophenyl)-1-(7H-purin-6-yl)azetidin-3-ol

C14H12FN5O — CID 99837279

IUPAC3-(4-fluorophenyl)-1-(7H-purin-6-yl)azetidin-3-ol
SMILESOC1(c2ccc(F)cc2)CN(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C14H12FN5O/c15-10-3-1-9(2-4-10)14(21)5-20(6-14)13-11-12(17-7-16-11)18-8-19-13/h1-4,7-8,21H,5-6H2,(H,16,17,18,19)
InChIKeySRUAFGVFROGSRT-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.20
Rot. Bonds2

About 3-(4-fluorophenyl)-1-(7H-purin-6-yl)azetidin-3-ol

3-(4-fluorophenyl)-1-(7H-purin-6-yl)azetidin-3-ol (PubChem CID 99837279) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(7H-purin-6-yl)azetidin-3-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(7H-purin-6-yl)azetidin-3-ol
PubChem CID99837279
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC Name3-(4-fluorophenyl)-1-(7H-purin-6-yl)azetidin-3-ol
SMILESOC1(c2ccc(F)cc2)CN(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C14H12FN5O/c15-10-3-1-9(2-4-10)14(21)5-20(6-14)13-11-12(17-7-16-11)18-8-19-13/h1-4,7-8,21H,5-6H2,(H,16,17,18,19)
InChIKeySRUAFGVFROGSRT-UHFFFAOYSA-N
XLogP1.20
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-azaspiro[3.3]heptan-2-yl)-7H-purine
CID 166304856
6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
CID 23605644
3-(4-fluorophenyl)-1-pyrimidin-2-ylazetidin-3-ol
CID 133487482
6-(5-azaspiro[2.5]octan-5-yl)-7H-purine
CID 133481023
3-phenyl-8-(7H-purin-6-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 110218964
3-[(2,4-difluorophenyl)methyl]-1-(7H-purin-6-yl)piperidine-3-carboxylic acid
CID 56872262
4-(7H-purin-6-yl)piperazine-1-carbaldehyde
CID 118720796
6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-7H-purine
CID 133348137
2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 134697631
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
2-(7H-purin-6-yl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 70753701
2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(7H-purin-6-yl)piperidin-3-yl]acetamide
CID 133440250

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(7H-purin-6-yl)azetidin-3-ol?
The IUPAC name of 3-(4-fluorophenyl)-1-(7H-purin-6-yl)azetidin-3-ol (CID 99837279) is 3-(4-fluorophenyl)-1-(7H-purin-6-yl)azetidin-3-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(7H-purin-6-yl)azetidin-3-ol?
The canonical SMILES for 3-(4-fluorophenyl)-1-(7H-purin-6-yl)azetidin-3-ol is OC1(c2ccc(F)cc2)CN(c2ncnc3nc[nH]c23)C1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(7H-purin-6-yl)azetidin-3-ol?
The InChIKey is SRUAFGVFROGSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c15-10-3-1-9(2-4-10)14(21)5-20(6-14)13-11-12(17-7-16-11)18-8-19-13/h1-4,7-8,21H,5-6H2,(H,16,17,18,19).
What are the key properties of 3-(4-fluorophenyl)-1-(7H-purin-6-yl)azetidin-3-ol?
3-(4-fluorophenyl)-1-(7H-purin-6-yl)azetidin-3-ol has a molecular weight of 285.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(7H-purin-6-yl)azetidin-3-ol is sourced from PubChem (CID 99837279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).