N'-hydroxy-6-methyl-2-(2-methylbutan-2-yloxy)pyrimidine-4-carboximidamide

C11H18N4O2 — CID 136907221

IUPACN'-hydroxy-6-methyl-2-(2-methylbutan-2-yloxy)pyrimidine-4-carboximidamide
SMILESCCC(C)(C)Oc1nc(C)cc(/C(N)=N/O)n1
InChIInChI=1S/C11H18N4O2/c1-5-11(3,4)17-10-13-7(2)6-8(14-10)9(12)15-16/h6,16H,5H2,1-4H3,(H2,12,15)
InChIKeyDAGKDXHPCSUSCO-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.45
Rot. Bonds4

About N'-hydroxy-6-methyl-2-(2-methylbutan-2-yloxy)pyrimidine-4-carboximidamide

N'-hydroxy-6-methyl-2-(2-methylbutan-2-yloxy)pyrimidine-4-carboximidamide (PubChem CID 136907221) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N'-hydroxy-6-methyl-2-(2-methylbutan-2-yloxy)pyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methyl-2-(2-methylbutan-2-yloxy)pyrimidine-4-carboximidamide
PubChem CID136907221
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN'-hydroxy-6-methyl-2-(2-methylbutan-2-yloxy)pyrimidine-4-carboximidamide
SMILESCCC(C)(C)Oc1nc(C)cc(/C(N)=N/O)n1
InChIInChI=1S/C11H18N4O2/c1-5-11(3,4)17-10-13-7(2)6-8(14-10)9(12)15-16/h6,16H,5H2,1-4H3,(H2,12,15)
InChIKeyDAGKDXHPCSUSCO-UHFFFAOYSA-N
XLogP1.45
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.45
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-(2-butoxyethoxy)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136907212
2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136907295
2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136907156
N'-hydroxy-2-(2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 136907097
N'-hydroxy-6-methyl-2-(2,3,5-trimethylphenoxy)pyrimidine-4-carboximidamide
CID 136907204
N'-hydroxy-6-methyl-2-(3-pyridin-4-ylpropoxy)pyrimidine-4-carboximidamide
CID 136907231
N'-hydroxy-6-methyl-2-(1-methylpyrazol-4-yl)oxypyrimidine-4-carboximidamide
CID 136907445
N'-hydroxy-5-methyl-2-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 107930162
N'-hydroxy-2-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 81277524
2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136986706
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906614
2-[cyclopropyl(ethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906390

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-methyl-2-(2-methylbutan-2-yloxy)pyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-6-methyl-2-(2-methylbutan-2-yloxy)pyrimidine-4-carboximidamide (CID 136907221) is N'-hydroxy-6-methyl-2-(2-methylbutan-2-yloxy)pyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methyl-2-(2-methylbutan-2-yloxy)pyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methyl-2-(2-methylbutan-2-yloxy)pyrimidine-4-carboximidamide is CCC(C)(C)Oc1nc(C)cc(/C(N)=N/O)n1.
What is the InChIKey of N'-hydroxy-6-methyl-2-(2-methylbutan-2-yloxy)pyrimidine-4-carboximidamide?
The InChIKey is DAGKDXHPCSUSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-5-11(3,4)17-10-13-7(2)6-8(14-10)9(12)15-16/h6,16H,5H2,1-4H3,(H2,12,15).
What are the key properties of N'-hydroxy-6-methyl-2-(2-methylbutan-2-yloxy)pyrimidine-4-carboximidamide?
N'-hydroxy-6-methyl-2-(2-methylbutan-2-yloxy)pyrimidine-4-carboximidamide has a molecular weight of 238.29 g/mol, XLogP of 1.45, 4 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-methylbutan-2-yloxy)pyrimidine-4-carboximidamide is sourced from PubChem (CID 136907221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).