9-(4-fluorophenyl)-N-phenylpurin-6-amine

C17H12FN5 — CID 102501130

IUPAC9-(4-fluorophenyl)-N-phenylpurin-6-amine
SMILESFc1ccc(-n2cnc3c(Nc4ccccc4)ncnc32)cc1
InChIInChI=1S/C17H12FN5/c18-12-6-8-14(9-7-12)23-11-21-15-16(19-10-20-17(15)23)22-13-4-2-1-3-5-13/h1-11H,(H,19,20,22)
InChIKeyAFSSSJYAODRORY-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.70
Rot. Bonds3

About 9-(4-fluorophenyl)-N-phenylpurin-6-amine

9-(4-fluorophenyl)-N-phenylpurin-6-amine (PubChem CID 102501130) has the molecular formula C17H12FN5 and a molecular weight of 305.32 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-N-phenylpurin-6-amine.

Molecular Properties

Compound Name9-(4-fluorophenyl)-N-phenylpurin-6-amine
PubChem CID102501130
Molecular FormulaC17H12FN5
Molecular Weight305.32 g/mol
Exact Mass305.11
IUPAC Name9-(4-fluorophenyl)-N-phenylpurin-6-amine
SMILESFc1ccc(-n2cnc3c(Nc4ccccc4)ncnc32)cc1
InChIInChI=1S/C17H12FN5/c18-12-6-8-14(9-7-12)23-11-21-15-16(19-10-20-17(15)23)22-13-4-2-1-3-5-13/h1-11H,(H,19,20,22)
InChIKeyAFSSSJYAODRORY-UHFFFAOYSA-N
XLogP3.70
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-N-phenylpurin-6-amine?
The IUPAC name of 9-(4-fluorophenyl)-N-phenylpurin-6-amine (CID 102501130) is 9-(4-fluorophenyl)-N-phenylpurin-6-amine.
What is the SMILES notation for 9-(4-fluorophenyl)-N-phenylpurin-6-amine?
The canonical SMILES for 9-(4-fluorophenyl)-N-phenylpurin-6-amine is Fc1ccc(-n2cnc3c(Nc4ccccc4)ncnc32)cc1.
What is the InChIKey of 9-(4-fluorophenyl)-N-phenylpurin-6-amine?
The InChIKey is AFSSSJYAODRORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5/c18-12-6-8-14(9-7-12)23-11-21-15-16(19-10-20-17(15)23)22-13-4-2-1-3-5-13/h1-11H,(H,19,20,22).
What are the key properties of 9-(4-fluorophenyl)-N-phenylpurin-6-amine?
9-(4-fluorophenyl)-N-phenylpurin-6-amine has a molecular weight of 305.32 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-N-phenylpurin-6-amine is sourced from PubChem (CID 102501130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).