6-(2,3-difluorophenoxy)-7H-purin-2-amine

C11H7F2N5O — CID 114787655

IUPAC6-(2,3-difluorophenoxy)-7H-purin-2-amine
SMILESNc1nc(Oc2cccc(F)c2F)c2[nH]cnc2n1
InChIInChI=1S/C11H7F2N5O/c12-5-2-1-3-6(7(5)13)19-10-8-9(16-4-15-8)17-11(14)18-10/h1-4H,(H3,14,15,16,17,18)
InChIKeyPESXUGUGEWUVMZ-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.01
Rot. Bonds2

About 6-(2,3-difluorophenoxy)-7H-purin-2-amine

6-(2,3-difluorophenoxy)-7H-purin-2-amine (PubChem CID 114787655) has the molecular formula C11H7F2N5O and a molecular weight of 263.21 g/mol. Its IUPAC name is 6-(2,3-difluorophenoxy)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(2,3-difluorophenoxy)-7H-purin-2-amine
PubChem CID114787655
Molecular FormulaC11H7F2N5O
Molecular Weight263.21 g/mol
Exact Mass263.06
IUPAC Name6-(2,3-difluorophenoxy)-7H-purin-2-amine
SMILESNc1nc(Oc2cccc(F)c2F)c2[nH]cnc2n1
InChIInChI=1S/C11H7F2N5O/c12-5-2-1-3-6(7(5)13)19-10-8-9(16-4-15-8)17-11(14)18-10/h1-4H,(H3,14,15,16,17,18)
InChIKeyPESXUGUGEWUVMZ-UHFFFAOYSA-N
XLogP2.01
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,3-dimethylphenoxy)-7H-purin-2-amine
CID 114787154
6-(5-bromo-2-fluorophenoxy)-7H-purin-2-amine
CID 114788110
6-quinolin-8-yloxy-7H-purin-2-amine
CID 114787361
2-chloro-6-(3-chloro-2-fluorophenoxy)-7H-purine
CID 116688984
2-[2-[(2-amino-7H-purin-6-yl)oxy]phenyl]ethanol
CID 91991251
6-(3-ethylphenoxy)-7H-purin-2-amine
CID 114786919
6-(4-propan-2-ylphenoxy)-7H-purin-2-amine
CID 114787126
4-(2,3-difluorophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80879795
4-[(2-amino-7H-purin-6-yl)oxy]benzonitrile
CID 114787259
6-(2,2-difluoroethoxy)-7H-purin-2-amine
CID 114787974
6-(2-methyl-4-nitrophenoxy)-7H-purin-2-amine
CID 114788030
6-(1,1,1-trifluoropropan-2-yloxy)-7H-purin-2-amine
CID 114787836

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenoxy)-7H-purin-2-amine?
The IUPAC name of 6-(2,3-difluorophenoxy)-7H-purin-2-amine (CID 114787655) is 6-(2,3-difluorophenoxy)-7H-purin-2-amine.
What is the SMILES notation for 6-(2,3-difluorophenoxy)-7H-purin-2-amine?
The canonical SMILES for 6-(2,3-difluorophenoxy)-7H-purin-2-amine is Nc1nc(Oc2cccc(F)c2F)c2[nH]cnc2n1.
What is the InChIKey of 6-(2,3-difluorophenoxy)-7H-purin-2-amine?
The InChIKey is PESXUGUGEWUVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N5O/c12-5-2-1-3-6(7(5)13)19-10-8-9(16-4-15-8)17-11(14)18-10/h1-4H,(H3,14,15,16,17,18).
What are the key properties of 6-(2,3-difluorophenoxy)-7H-purin-2-amine?
6-(2,3-difluorophenoxy)-7H-purin-2-amine has a molecular weight of 263.21 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluorophenoxy)-7H-purin-2-amine is sourced from PubChem (CID 114787655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).