N'-hydroxy-6-methyl-2-(2,3,5-trimethylphenoxy)pyrimidine-4-carboximidamide

C15H18N4O2 — CID 136907204

IUPACN'-hydroxy-6-methyl-2-(2,3,5-trimethylphenoxy)pyrimidine-4-carboximidamide
SMILESCc1cc(C)c(C)c(Oc2nc(C)cc(/C(N)=N/O)n2)c1
InChIInChI=1S/C15H18N4O2/c1-8-5-9(2)11(4)13(6-8)21-15-17-10(3)7-12(18-15)14(16)19-20/h5-7,20H,1-4H3,(H2,16,19)
InChIKeyJVOPELCAXSLSIK-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.60
Rot. Bonds3

About N'-hydroxy-6-methyl-2-(2,3,5-trimethylphenoxy)pyrimidine-4-carboximidamide

N'-hydroxy-6-methyl-2-(2,3,5-trimethylphenoxy)pyrimidine-4-carboximidamide (PubChem CID 136907204) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N'-hydroxy-6-methyl-2-(2,3,5-trimethylphenoxy)pyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methyl-2-(2,3,5-trimethylphenoxy)pyrimidine-4-carboximidamide
PubChem CID136907204
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN'-hydroxy-6-methyl-2-(2,3,5-trimethylphenoxy)pyrimidine-4-carboximidamide
SMILESCc1cc(C)c(C)c(Oc2nc(C)cc(/C(N)=N/O)n2)c1
InChIInChI=1S/C15H18N4O2/c1-8-5-9(2)11(4)13(6-8)21-15-17-10(3)7-12(18-15)14(16)19-20/h5-7,20H,1-4H3,(H2,16,19)
InChIKeyJVOPELCAXSLSIK-UHFFFAOYSA-N
XLogP2.60
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.60
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

N'-hydroxy-2-(2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 136907097
2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136907156
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
2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136907295
5-fluoro-N'-hydroxy-2-(2,3,5-trimethylphenoxy)benzenecarboximidamide
CID 77004548
2-(2,5-dimethylphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550824
2-(2-butoxyethoxy)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136907212
N'-hydroxy-6-methyl-2-(3-pyridin-4-ylpropoxy)pyrimidine-4-carboximidamide
CID 136907231
2-(2,4-dimethylphenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013736
2-(5-fluoro-2-methylphenoxy)-6-methylpyrimidine-4-carbothioamide
CID 107548744
N'-hydroxy-2-[2-methoxyethyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 136986713

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-methyl-2-(2,3,5-trimethylphenoxy)pyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-6-methyl-2-(2,3,5-trimethylphenoxy)pyrimidine-4-carboximidamide (CID 136907204) is N'-hydroxy-6-methyl-2-(2,3,5-trimethylphenoxy)pyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methyl-2-(2,3,5-trimethylphenoxy)pyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methyl-2-(2,3,5-trimethylphenoxy)pyrimidine-4-carboximidamide is Cc1cc(C)c(C)c(Oc2nc(C)cc(/C(N)=N/O)n2)c1.
What is the InChIKey of N'-hydroxy-6-methyl-2-(2,3,5-trimethylphenoxy)pyrimidine-4-carboximidamide?
The InChIKey is JVOPELCAXSLSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-8-5-9(2)11(4)13(6-8)21-15-17-10(3)7-12(18-15)14(16)19-20/h5-7,20H,1-4H3,(H2,16,19).
What are the key properties of N'-hydroxy-6-methyl-2-(2,3,5-trimethylphenoxy)pyrimidine-4-carboximidamide?
N'-hydroxy-6-methyl-2-(2,3,5-trimethylphenoxy)pyrimidine-4-carboximidamide has a molecular weight of 286.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-methyl-2-(2,3,5-trimethylphenoxy)pyrimidine-4-carboximidamide is sourced from PubChem (CID 136907204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).