5-(3-fluorophenyl)-7,8-dihydropteridin-6-one

C12H9FN4O — CID 140718697

IUPAC5-(3-fluorophenyl)-7,8-dihydropteridin-6-one
SMILESO=C1CNc2ncncc2N1c1cccc(F)c1
InChIInChI=1S/C12H9FN4O/c13-8-2-1-3-9(4-8)17-10-5-14-7-16-12(10)15-6-11(17)18/h1-5,7H,6H2,(H,14,15,16)
InChIKeyLUNBYZCXVQFYNJ-UHFFFAOYSA-N
MW244.23 g/mol
LogP1.71
Rot. Bonds1

About 5-(3-fluorophenyl)-7,8-dihydropteridin-6-one

5-(3-fluorophenyl)-7,8-dihydropteridin-6-one (PubChem CID 140718697) has the molecular formula C12H9FN4O and a molecular weight of 244.23 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-7,8-dihydropteridin-6-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-7,8-dihydropteridin-6-one
PubChem CID140718697
Molecular FormulaC12H9FN4O
Molecular Weight244.23 g/mol
Exact Mass244.08
IUPAC Name5-(3-fluorophenyl)-7,8-dihydropteridin-6-one
SMILESO=C1CNc2ncncc2N1c1cccc(F)c1
InChIInChI=1S/C12H9FN4O/c13-8-2-1-3-9(4-8)17-10-5-14-7-16-12(10)15-6-11(17)18/h1-5,7H,6H2,(H,14,15,16)
InChIKeyLUNBYZCXVQFYNJ-UHFFFAOYSA-N
XLogP1.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-fluorophenyl)-7,8-dihydropteridin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

4-(3-fluorophenyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile
CID 117007033
5-cyclopropyl-7,8-dihydropteridin-6-one
CID 175812763
3-(3-methylsulfanylphenyl)imidazolidine-2,4-dione
CID 11435994
1-(3-fluorophenyl)piperidine-2,6-dione
CID 82077412
1-(3-fluorophenyl)-3H-1,4-benzodiazepin-2-one
CID 152766766
3-(3-fluorophenyl)-6-methyl-1,3-diazepane-2,4-dione
CID 81070455
1-(3-aminophenyl)-3,4-dihydroquinoxalin-2-one
CID 117030560
3-(3-fluorophenyl)-1-phenylimidazolidine-2,4-dione
CID 61030217
(3aS,6aR)-5-(3-fluorophenyl)-3-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-dione
CID 98369550
1-bromo-3,4-dihydropyrido[2,3-b]pyrazin-2-one
CID 152678723
1-iodo-3,4-dihydropyrido[2,3-b]pyrazin-2-one
CID 141188190
3-(2,5-difluorophenyl)imidazolidine-2,4-dione
CID 14650513

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-7,8-dihydropteridin-6-one?
The IUPAC name of 5-(3-fluorophenyl)-7,8-dihydropteridin-6-one (CID 140718697) is 5-(3-fluorophenyl)-7,8-dihydropteridin-6-one.
What is the SMILES notation for 5-(3-fluorophenyl)-7,8-dihydropteridin-6-one?
The canonical SMILES for 5-(3-fluorophenyl)-7,8-dihydropteridin-6-one is O=C1CNc2ncncc2N1c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-7,8-dihydropteridin-6-one?
The InChIKey is LUNBYZCXVQFYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O/c13-8-2-1-3-9(4-8)17-10-5-14-7-16-12(10)15-6-11(17)18/h1-5,7H,6H2,(H,14,15,16).
What are the key properties of 5-(3-fluorophenyl)-7,8-dihydropteridin-6-one?
5-(3-fluorophenyl)-7,8-dihydropteridin-6-one has a molecular weight of 244.23 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-7,8-dihydropteridin-6-one is sourced from PubChem (CID 140718697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).