N'-hydroxy-2-[3-(methoxymethyl)phenoxy]pyrimidine-4-carboximidamide

C13H14N4O3 — CID 136907355

IUPACN'-hydroxy-2-[3-(methoxymethyl)phenoxy]pyrimidine-4-carboximidamide
SMILESCOCc1cccc(Oc2nccc(/C(N)=N/O)n2)c1
InChIInChI=1S/C13H14N4O3/c1-19-8-9-3-2-4-10(7-9)20-13-15-6-5-11(16-13)12(14)17-18/h2-7,18H,8H2,1H3,(H2,14,17)
InChIKeyQCHFQDWETZVXHO-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.51
Rot. Bonds5

About N'-hydroxy-2-[3-(methoxymethyl)phenoxy]pyrimidine-4-carboximidamide

N'-hydroxy-2-[3-(methoxymethyl)phenoxy]pyrimidine-4-carboximidamide (PubChem CID 136907355) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N'-hydroxy-2-[3-(methoxymethyl)phenoxy]pyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[3-(methoxymethyl)phenoxy]pyrimidine-4-carboximidamide
PubChem CID136907355
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN'-hydroxy-2-[3-(methoxymethyl)phenoxy]pyrimidine-4-carboximidamide
SMILESCOCc1cccc(Oc2nccc(/C(N)=N/O)n2)c1
InChIInChI=1S/C13H14N4O3/c1-19-8-9-3-2-4-10(7-9)20-13-15-6-5-11(16-13)12(14)17-18/h2-7,18H,8H2,1H3,(H2,14,17)
InChIKeyQCHFQDWETZVXHO-UHFFFAOYSA-N
XLogP1.51
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N'-hydroxy-2-(3-propan-2-ylphenoxy)pyrimidine-4-carboximidamide
CID 136907170
N'-hydroxy-2-phenoxypyrimidine-4-carboximidamide
CID 136907091
[2-[3-(methoxymethyl)phenoxy]pyrimidin-4-yl]methanamine
CID 107542682
2-[3-(hydroxymethyl)phenoxy]pyrimidine-4-carbothioamide
CID 107548615
2-fluoro-N'-hydroxy-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide
CID 79517922
2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyrimidine-4-carboximidamide
CID 136986806
2-(2,3-dichlorophenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907185
2-(3-ethoxyphenoxy)pyrimidine-4-carbothioamide
CID 107548622
2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907157
2-(2-tert-butylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907160
6-[3-(methoxymethyl)phenoxy]pyridine-2-carbothioamide
CID 64593563
5-iodo-2-[3-(methoxymethyl)phenoxy]pyrimidine
CID 104843800

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[3-(methoxymethyl)phenoxy]pyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-[3-(methoxymethyl)phenoxy]pyrimidine-4-carboximidamide (CID 136907355) is N'-hydroxy-2-[3-(methoxymethyl)phenoxy]pyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[3-(methoxymethyl)phenoxy]pyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[3-(methoxymethyl)phenoxy]pyrimidine-4-carboximidamide is COCc1cccc(Oc2nccc(/C(N)=N/O)n2)c1.
What is the InChIKey of N'-hydroxy-2-[3-(methoxymethyl)phenoxy]pyrimidine-4-carboximidamide?
The InChIKey is QCHFQDWETZVXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-19-8-9-3-2-4-10(7-9)20-13-15-6-5-11(16-13)12(14)17-18/h2-7,18H,8H2,1H3,(H2,14,17).
What are the key properties of N'-hydroxy-2-[3-(methoxymethyl)phenoxy]pyrimidine-4-carboximidamide?
N'-hydroxy-2-[3-(methoxymethyl)phenoxy]pyrimidine-4-carboximidamide has a molecular weight of 274.28 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[3-(methoxymethyl)phenoxy]pyrimidine-4-carboximidamide is sourced from PubChem (CID 136907355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).