2,6-difluoro-4-(7H-purin-2-ylamino)phenol

C11H7F2N5O — CID 164627508

IUPAC2,6-difluoro-4-(7H-purin-2-ylamino)phenol
SMILESOc1c(F)cc(Nc2ncc3[nH]cnc3n2)cc1F
InChIInChI=1S/C11H7F2N5O/c12-6-1-5(2-7(13)9(6)19)17-11-14-3-8-10(18-11)16-4-15-8/h1-4,19H,(H2,14,15,16,17,18)
InChIKeyNESFHNRJRFLAMW-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.08
Rot. Bonds2

About 2,6-difluoro-4-(7H-purin-2-ylamino)phenol

2,6-difluoro-4-(7H-purin-2-ylamino)phenol (PubChem CID 164627508) has the molecular formula C11H7F2N5O and a molecular weight of 263.21 g/mol. Its IUPAC name is 2,6-difluoro-4-(7H-purin-2-ylamino)phenol.

Molecular Properties

Compound Name2,6-difluoro-4-(7H-purin-2-ylamino)phenol
PubChem CID164627508
Molecular FormulaC11H7F2N5O
Molecular Weight263.21 g/mol
Exact Mass263.06
IUPAC Name2,6-difluoro-4-(7H-purin-2-ylamino)phenol
SMILESOc1c(F)cc(Nc2ncc3[nH]cnc3n2)cc1F
InChIInChI=1S/C11H7F2N5O/c12-6-1-5(2-7(13)9(6)19)17-11-14-3-8-10(18-11)16-4-15-8/h1-4,19H,(H2,14,15,16,17,18)
InChIKeyNESFHNRJRFLAMW-UHFFFAOYSA-N
XLogP2.08
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,6-difluoro-4-(7H-purin-2-ylamino)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-(7H-purin-2-ylamino)phenol?
The IUPAC name of 2,6-difluoro-4-(7H-purin-2-ylamino)phenol (CID 164627508) is 2,6-difluoro-4-(7H-purin-2-ylamino)phenol.
What is the SMILES notation for 2,6-difluoro-4-(7H-purin-2-ylamino)phenol?
The canonical SMILES for 2,6-difluoro-4-(7H-purin-2-ylamino)phenol is Oc1c(F)cc(Nc2ncc3[nH]cnc3n2)cc1F.
What is the InChIKey of 2,6-difluoro-4-(7H-purin-2-ylamino)phenol?
The InChIKey is NESFHNRJRFLAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N5O/c12-6-1-5(2-7(13)9(6)19)17-11-14-3-8-10(18-11)16-4-15-8/h1-4,19H,(H2,14,15,16,17,18).
What are the key properties of 2,6-difluoro-4-(7H-purin-2-ylamino)phenol?
2,6-difluoro-4-(7H-purin-2-ylamino)phenol has a molecular weight of 263.21 g/mol, XLogP of 2.08, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(7H-purin-2-ylamino)phenol is sourced from PubChem (CID 164627508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).