5-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1-(2-hydroxyethyl)pyridin-2-one

C18H15FN6O2 — CID 20749952

IUPAC5-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1-(2-hydroxyethyl)pyridin-2-one
SMILESNc1ncnc2c1nc(-c1cccc(F)c1)n2-c1ccc(=O)n(CCO)c1
InChIInChI=1S/C18H15FN6O2/c19-12-3-1-2-11(8-12)17-23-15-16(20)21-10-22-18(15)25(17)13-4-5-14(27)24(9-13)6-7-26/h1-5,8-10,26H,6-7H2,(H2,20,21,22)
InChIKeyGHUHHRUFJLKYHE-UHFFFAOYSA-N
MW366.36 g/mol
LogP1.36
Rot. Bonds4

About 5-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1-(2-hydroxyethyl)pyridin-2-one

5-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1-(2-hydroxyethyl)pyridin-2-one (PubChem CID 20749952) has the molecular formula C18H15FN6O2 and a molecular weight of 366.36 g/mol. Its IUPAC name is 5-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1-(2-hydroxyethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1-(2-hydroxyethyl)pyridin-2-one
PubChem CID20749952
Molecular FormulaC18H15FN6O2
Molecular Weight366.36 g/mol
Exact Mass366.12
IUPAC Name5-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1-(2-hydroxyethyl)pyridin-2-one
SMILESNc1ncnc2c1nc(-c1cccc(F)c1)n2-c1ccc(=O)n(CCO)c1
InChIInChI=1S/C18H15FN6O2/c19-12-3-1-2-11(8-12)17-23-15-16(20)21-10-22-18(15)25(17)13-4-5-14(27)24(9-13)6-7-26/h1-5,8-10,26H,6-7H2,(H2,20,21,22)
InChIKeyGHUHHRUFJLKYHE-UHFFFAOYSA-N
XLogP1.36
TPSA111.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1-(2-hydroxyethyl)pyridin-2-one 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 5-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1-(2-hydroxyethyl)pyridin-2-one?
The IUPAC name of 5-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1-(2-hydroxyethyl)pyridin-2-one (CID 20749952) is 5-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1-(2-hydroxyethyl)pyridin-2-one.
What is the SMILES notation for 5-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1-(2-hydroxyethyl)pyridin-2-one?
The canonical SMILES for 5-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1-(2-hydroxyethyl)pyridin-2-one is Nc1ncnc2c1nc(-c1cccc(F)c1)n2-c1ccc(=O)n(CCO)c1.
What is the InChIKey of 5-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1-(2-hydroxyethyl)pyridin-2-one?
The InChIKey is GHUHHRUFJLKYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O2/c19-12-3-1-2-11(8-12)17-23-15-16(20)21-10-22-18(15)25(17)13-4-5-14(27)24(9-13)6-7-26/h1-5,8-10,26H,6-7H2,(H2,20,21,22).
What are the key properties of 5-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1-(2-hydroxyethyl)pyridin-2-one?
5-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1-(2-hydroxyethyl)pyridin-2-one has a molecular weight of 366.36 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1-(2-hydroxyethyl)pyridin-2-one is sourced from PubChem (CID 20749952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).