2-[[2-fluoro-9-(oxolan-2-yl)purin-6-yl]amino]-4-methoxyphenol

C16H16FN5O3 — CID 146575052

IUPAC2-[[2-fluoro-9-(oxolan-2-yl)purin-6-yl]amino]-4-methoxyphenol
SMILESCOc1ccc(O)c(Nc2nc(F)nc3c2ncn3C2CCCO2)c1
InChIInChI=1S/C16H16FN5O3/c1-24-9-4-5-11(23)10(7-9)19-14-13-15(21-16(17)20-14)22(8-18-13)12-3-2-6-25-12/h4-5,7-8,12,23H,2-3,6H2,1H3,(H,19,20,21)
InChIKeyHMJAAIQAXOKPCR-UHFFFAOYSA-N
MW345.33 g/mol
LogP2.73
Rot. Bonds4

About 2-[[2-fluoro-9-(oxolan-2-yl)purin-6-yl]amino]-4-methoxyphenol

2-[[2-fluoro-9-(oxolan-2-yl)purin-6-yl]amino]-4-methoxyphenol (PubChem CID 146575052) has the molecular formula C16H16FN5O3 and a molecular weight of 345.33 g/mol. Its IUPAC name is 2-[[2-fluoro-9-(oxolan-2-yl)purin-6-yl]amino]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[2-fluoro-9-(oxolan-2-yl)purin-6-yl]amino]-4-methoxyphenol
PubChem CID146575052
Molecular FormulaC16H16FN5O3
Molecular Weight345.33 g/mol
Exact Mass345.12
IUPAC Name2-[[2-fluoro-9-(oxolan-2-yl)purin-6-yl]amino]-4-methoxyphenol
SMILESCOc1ccc(O)c(Nc2nc(F)nc3c2ncn3C2CCCO2)c1
InChIInChI=1S/C16H16FN5O3/c1-24-9-4-5-11(23)10(7-9)19-14-13-15(21-16(17)20-14)22(8-18-13)12-3-2-6-25-12/h4-5,7-8,12,23H,2-3,6H2,1H3,(H,19,20,21)
InChIKeyHMJAAIQAXOKPCR-UHFFFAOYSA-N
XLogP2.73
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-9-(oxolan-2-yl)-N-(2,3,5-trimethoxyphenyl)purin-6-amine
CID 162441190
6-N-(2,5-dimethoxyphenyl)-9-(oxolan-2-yl)purine-2,6-diamine
CID 146575033
2-bromo-N-(2,5-dimethoxyphenyl)-9-(oxolan-2-yl)purin-6-amine
CID 146574819
4-[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]-3-methylphenol
CID 162440938
2-fluoro-N-[(3-methoxyphenyl)methyl]-9-(oxolan-2-yl)purin-6-amine
CID 162441030
N-(2,3-dimethoxyphenyl)-2-fluoro-9-(oxepan-2-yl)purin-6-amine
CID 162440937
N-(2,3-difluorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine
CID 146574673
N-(2-chlorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine
CID 146575044
N-(2-chloro-3-methoxyphenyl)-2-fluoro-9-(oxan-2-yl)purin-6-amine
CID 146575313
N-(2,5-dimethoxyphenyl)-2-iodo-9-(oxan-2-yl)purin-6-amine
CID 146575045
2-bromo-N-(2,5-dimethoxyphenyl)-9-(oxan-2-yl)purin-6-amine
CID 146574775
2-chloro-N-(2,4-dimethoxyphenyl)-9-(oxan-2-yl)purin-6-amine
CID 146574556

Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-9-(oxolan-2-yl)purin-6-yl]amino]-4-methoxyphenol?
The IUPAC name of 2-[[2-fluoro-9-(oxolan-2-yl)purin-6-yl]amino]-4-methoxyphenol (CID 146575052) is 2-[[2-fluoro-9-(oxolan-2-yl)purin-6-yl]amino]-4-methoxyphenol.
What is the SMILES notation for 2-[[2-fluoro-9-(oxolan-2-yl)purin-6-yl]amino]-4-methoxyphenol?
The canonical SMILES for 2-[[2-fluoro-9-(oxolan-2-yl)purin-6-yl]amino]-4-methoxyphenol is COc1ccc(O)c(Nc2nc(F)nc3c2ncn3C2CCCO2)c1.
What is the InChIKey of 2-[[2-fluoro-9-(oxolan-2-yl)purin-6-yl]amino]-4-methoxyphenol?
The InChIKey is HMJAAIQAXOKPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O3/c1-24-9-4-5-11(23)10(7-9)19-14-13-15(21-16(17)20-14)22(8-18-13)12-3-2-6-25-12/h4-5,7-8,12,23H,2-3,6H2,1H3,(H,19,20,21).
What are the key properties of 2-[[2-fluoro-9-(oxolan-2-yl)purin-6-yl]amino]-4-methoxyphenol?
2-[[2-fluoro-9-(oxolan-2-yl)purin-6-yl]amino]-4-methoxyphenol has a molecular weight of 345.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-fluoro-9-(oxolan-2-yl)purin-6-yl]amino]-4-methoxyphenol is sourced from PubChem (CID 146575052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).