6-fluoro-9-(furan-2-yl)purine

C9H5FN4O — CID 54765814

IUPAC6-fluoro-9-(furan-2-yl)purine
SMILESFc1ncnc2c1ncn2-c1ccco1
InChIInChI=1S/C9H5FN4O/c10-8-7-9(12-4-11-8)14(5-13-7)6-2-1-3-15-6/h1-5H
InChIKeyLIHIBTRMEXTKFK-UHFFFAOYSA-N
MW204.16 g/mol
LogP1.55
Rot. Bonds1

About 6-fluoro-9-(furan-2-yl)purine

6-fluoro-9-(furan-2-yl)purine (PubChem CID 54765814) has the molecular formula C9H5FN4O and a molecular weight of 204.16 g/mol. Its IUPAC name is 6-fluoro-9-(furan-2-yl)purine.

Molecular Properties

Compound Name6-fluoro-9-(furan-2-yl)purine
PubChem CID54765814
Molecular FormulaC9H5FN4O
Molecular Weight204.16 g/mol
Exact Mass204.04
IUPAC Name6-fluoro-9-(furan-2-yl)purine
SMILESFc1ncnc2c1ncn2-c1ccco1
InChIInChI=1S/C9H5FN4O/c10-8-7-9(12-4-11-8)14(5-13-7)6-2-1-3-15-6/h1-5H
InChIKeyLIHIBTRMEXTKFK-UHFFFAOYSA-N
XLogP1.55
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.16
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-9-(furan-2-yl)purine 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 6-fluoro-9-(furan-2-yl)purine?
The IUPAC name of 6-fluoro-9-(furan-2-yl)purine (CID 54765814) is 6-fluoro-9-(furan-2-yl)purine.
What is the SMILES notation for 6-fluoro-9-(furan-2-yl)purine?
The canonical SMILES for 6-fluoro-9-(furan-2-yl)purine is Fc1ncnc2c1ncn2-c1ccco1.
What is the InChIKey of 6-fluoro-9-(furan-2-yl)purine?
The InChIKey is LIHIBTRMEXTKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN4O/c10-8-7-9(12-4-11-8)14(5-13-7)6-2-1-3-15-6/h1-5H.
What are the key properties of 6-fluoro-9-(furan-2-yl)purine?
6-fluoro-9-(furan-2-yl)purine has a molecular weight of 204.16 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-9-(furan-2-yl)purine is sourced from PubChem (CID 54765814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).