2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide

C13H13ClN4O2 — CID 136907157

IUPAC2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide
SMILESCc1cc(Cl)cc(C)c1Oc1nccc(/C(N)=N/O)n1
InChIInChI=1S/C13H13ClN4O2/c1-7-5-9(14)6-8(2)11(7)20-13-16-4-3-10(17-13)12(15)18-19/h3-6,19H,1-2H3,(H2,15,18)
InChIKeyUHEKRFKAQLQOPK-UHFFFAOYSA-N
MW292.73 g/mol
LogP2.63
Rot. Bonds3

About 2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide

2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide (PubChem CID 136907157) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide
PubChem CID136907157
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide
SMILESCc1cc(Cl)cc(C)c1Oc1nccc(/C(N)=N/O)n1
InChIInChI=1S/C13H13ClN4O2/c1-7-5-9(14)6-8(2)11(7)20-13-16-4-3-10(17-13)12(15)18-19/h3-6,19H,1-2H3,(H2,15,18)
InChIKeyUHEKRFKAQLQOPK-UHFFFAOYSA-N
XLogP2.63
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 52.63
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'}

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Related Compounds

2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136907156
2-(4-chloro-2,6-dimethylphenoxy)pyrimidine-4-carboxylic acid
CID 107554749
2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyrimidine-4-carboximidamide
CID 136986806
N'-hydroxy-2-phenoxypyrimidine-4-carboximidamide
CID 136907091
2-(2,3-dichlorophenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907185
2-cycloheptyloxy-N'-hydroxypyrimidine-4-carboximidamide
CID 136907287
2-(2-tert-butylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907160
N'-hydroxy-2-(3-propan-2-ylphenoxy)pyrimidine-4-carboximidamide
CID 136907170
N'-hydroxy-2-[3-(methoxymethyl)phenoxy]pyrimidine-4-carboximidamide
CID 136907355
4-(4-chloro-2,6-dimethylphenoxy)pyridine-2-carbothioamide
CID 55154938
2-bromo-6-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114883438
2-(2-fluoro-6-nitrophenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907441

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide?
The IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide (CID 136907157) is 2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide?
The canonical SMILES for 2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide is Cc1cc(Cl)cc(C)c1Oc1nccc(/C(N)=N/O)n1.
What is the InChIKey of 2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide?
The InChIKey is UHEKRFKAQLQOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-7-5-9(14)6-8(2)11(7)20-13-16-4-3-10(17-13)12(15)18-19/h3-6,19H,1-2H3,(H2,15,18).
What are the key properties of 2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide?
2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide has a molecular weight of 292.73 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide is sourced from PubChem (CID 136907157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).