N'-hydroxy-2-(2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide

C13H14N4O3 — CID 136907097

IUPACN'-hydroxy-2-(2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide
SMILESCOc1ccccc1Oc1nc(C)cc(/C(N)=N/O)n1
InChIInChI=1S/C13H14N4O3/c1-8-7-9(12(14)17-18)16-13(15-8)20-11-6-4-3-5-10(11)19-2/h3-7,18H,1-2H3,(H2,14,17)
InChIKeyZZQYTIRYWCPZDX-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.68
Rot. Bonds4

About N'-hydroxy-2-(2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide

N'-hydroxy-2-(2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide (PubChem CID 136907097) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N'-hydroxy-2-(2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide
PubChem CID136907097
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN'-hydroxy-2-(2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide
SMILESCOc1ccccc1Oc1nc(C)cc(/C(N)=N/O)n1
InChIInChI=1S/C13H14N4O3/c1-8-7-9(12(14)17-18)16-13(15-8)20-11-6-4-3-5-10(11)19-2/h3-7,18H,1-2H3,(H2,14,17)
InChIKeyZZQYTIRYWCPZDX-UHFFFAOYSA-N
XLogP1.68
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.68
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-6-methyl-2-(2,3,5-trimethylphenoxy)pyrimidine-4-carboximidamide
CID 136907204
N'-hydroxy-4-(2-methoxyphenoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81035865
2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136907156
2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136907295
N'-hydroxy-6-methyl-2-(1-methylpyrazol-4-yl)oxypyrimidine-4-carboximidamide
CID 136907445
N'-hydroxy-6-methyl-2-(2-methylbutan-2-yloxy)pyrimidine-4-carboximidamide
CID 136907221
N'-hydroxy-6-methyl-2-(3-pyridin-4-ylpropoxy)pyrimidine-4-carboximidamide
CID 136907231
2-(2-ethylphenoxy)-6-methylpyrimidine-4-carbothioamide
CID 107548555
2-(4,6-dimethylpyrimidin-2-yl)oxyphenol
CID 60868956
2-(2-butoxyethoxy)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136907212
2-(4-ethyl-2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107665132
2-(2-tert-butylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907160

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-(2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide (CID 136907097) is N'-hydroxy-2-(2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide is COc1ccccc1Oc1nc(C)cc(/C(N)=N/O)n1.
What is the InChIKey of N'-hydroxy-2-(2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide?
The InChIKey is ZZQYTIRYWCPZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-8-7-9(12(14)17-18)16-13(15-8)20-11-6-4-3-5-10(11)19-2/h3-7,18H,1-2H3,(H2,14,17).
What are the key properties of N'-hydroxy-2-(2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide?
N'-hydroxy-2-(2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide has a molecular weight of 274.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 136907097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).