N'-hydroxy-2-phenoxypyrimidine-4-carboximidamide

C11H10N4O2 — CID 136907091

IUPACN'-hydroxy-2-phenoxypyrimidine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(Oc2ccccc2)n1
InChIInChI=1S/C11H10N4O2/c12-10(15-16)9-6-7-13-11(14-9)17-8-4-2-1-3-5-8/h1-7,16H,(H2,12,15)
InChIKeyRYAUMYBDJWDOAW-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.36
Rot. Bonds3

About N'-hydroxy-2-phenoxypyrimidine-4-carboximidamide

N'-hydroxy-2-phenoxypyrimidine-4-carboximidamide (PubChem CID 136907091) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is N'-hydroxy-2-phenoxypyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-phenoxypyrimidine-4-carboximidamide
PubChem CID136907091
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC NameN'-hydroxy-2-phenoxypyrimidine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(Oc2ccccc2)n1
InChIInChI=1S/C11H10N4O2/c12-10(15-16)9-6-7-13-11(14-9)17-8-4-2-1-3-5-8/h1-7,16H,(H2,12,15)
InChIKeyRYAUMYBDJWDOAW-UHFFFAOYSA-N
XLogP1.36
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-2-phenoxypyrimidine-4-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

N'-hydroxy-2-(3-propan-2-ylphenoxy)pyrimidine-4-carboximidamide
CID 136907170
N'-hydroxy-2-[3-(methoxymethyl)phenoxy]pyrimidine-4-carboximidamide
CID 136907355
2-(2-tert-butylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907160
2-(2,3-dichlorophenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907185
1-(2-phenoxypyrimidin-4-yl)ethanone
CID 142223443
2-cycloheptyloxy-N'-hydroxypyrimidine-4-carboximidamide
CID 136907287
N'-hydroxy-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboximidamide
CID 136907230
2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907157
2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyrimidine-4-carboximidamide
CID 136986806
2-(2-fluoro-6-nitrophenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907441
2-(3,4-dimethylcyclohexyl)oxy-N'-hydroxypyrimidine-4-carboximidamide
CID 136907373
N'-hydroxy-2-(1-methylpyrrolidin-3-yl)oxypyrimidine-4-carboximidamide
CID 136949020

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-phenoxypyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-phenoxypyrimidine-4-carboximidamide (CID 136907091) is N'-hydroxy-2-phenoxypyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-phenoxypyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-phenoxypyrimidine-4-carboximidamide is N/C(=N/O)c1ccnc(Oc2ccccc2)n1.
What is the InChIKey of N'-hydroxy-2-phenoxypyrimidine-4-carboximidamide?
The InChIKey is RYAUMYBDJWDOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c12-10(15-16)9-6-7-13-11(14-9)17-8-4-2-1-3-5-8/h1-7,16H,(H2,12,15).
What are the key properties of N'-hydroxy-2-phenoxypyrimidine-4-carboximidamide?
N'-hydroxy-2-phenoxypyrimidine-4-carboximidamide has a molecular weight of 230.23 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-phenoxypyrimidine-4-carboximidamide is sourced from PubChem (CID 136907091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).