9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboximidamide

C18H13FN6O2 — CID 150272610

IUPAC9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboximidamide
SMILES[H]/N=C(\N)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1cccc(F)c1
InChIInChI=1S/C18H13FN6O2/c19-10-4-2-5-11(8-10)25-17-14(23-18(25)27)13(15(20)21)22-16(24-17)9-3-1-6-12(26)7-9/h1-8,26H,(H3,20,21)(H,23,27)
InChIKeyGDWSLUAINAMZBL-UHFFFAOYSA-N
MW364.34 g/mol
LogP1.90
Rot. Bonds3

About 9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboximidamide

9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboximidamide (PubChem CID 150272610) has the molecular formula C18H13FN6O2 and a molecular weight of 364.34 g/mol. Its IUPAC name is 9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboximidamide.

Molecular Properties

Compound Name9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboximidamide
PubChem CID150272610
Molecular FormulaC18H13FN6O2
Molecular Weight364.34 g/mol
Exact Mass364.11
IUPAC Name9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboximidamide
SMILES[H]/N=C(\N)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1cccc(F)c1
InChIInChI=1S/C18H13FN6O2/c19-10-4-2-5-11(8-10)25-17-14(23-18(25)27)13(15(20)21)22-16(24-17)9-3-1-6-12(26)7-9/h1-8,26H,(H3,20,21)(H,23,27)
InChIKeyGDWSLUAINAMZBL-UHFFFAOYSA-N
XLogP1.90
TPSA133.67 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboximidamide 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

2-(3-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 16825178
9-(4-chlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603329
2-(3-hydroxyphenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603381
9-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
CID 7267847
9-(2,3-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 24936459
2-(3-hydroxyphenyl)-8-oxo-9-(2-phenylphenyl)-7H-purine-6-carboxamide
CID 57474705
2-(3-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7196943
2,9-bis(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7422839
2-(3-fluorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide
CID 7519811
9-(2,4-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 24937606
9-cyclopentyl-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 24937986
9-(2,3-dimethoxyphenyl)-2-(3-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
CID 7599574

Frequently Asked Questions

What is the IUPAC name of 9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboximidamide?
The IUPAC name of 9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboximidamide (CID 150272610) is 9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboximidamide.
What is the SMILES notation for 9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboximidamide?
The canonical SMILES for 9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboximidamide is [H]/N=C(\N)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1cccc(F)c1.
What is the InChIKey of 9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboximidamide?
The InChIKey is GDWSLUAINAMZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O2/c19-10-4-2-5-11(8-10)25-17-14(23-18(25)27)13(15(20)21)22-16(24-17)9-3-1-6-12(26)7-9/h1-8,26H,(H3,20,21)(H,23,27).
What are the key properties of 9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboximidamide?
9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboximidamide has a molecular weight of 364.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboximidamide is sourced from PubChem (CID 150272610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).