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

C12H20N4O3 — CID 136907212

IUPAC2-(2-butoxyethoxy)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
SMILESCCCCOCCOc1nc(C)cc(/C(N)=N/O)n1
InChIInChI=1S/C12H20N4O3/c1-3-4-5-18-6-7-19-12-14-9(2)8-10(15-12)11(13)16-17/h8,17H,3-7H2,1-2H3,(H2,13,16)
InChIKeyZZZJNXVEWIWJHR-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.08
Rot. Bonds8

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

2-(2-butoxyethoxy)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide (PubChem CID 136907212) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
PubChem CID136907212
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-(2-butoxyethoxy)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
SMILESCCCCOCCOc1nc(C)cc(/C(N)=N/O)n1
InChIInChI=1S/C12H20N4O3/c1-3-4-5-18-6-7-19-12-14-9(2)8-10(15-12)11(13)16-17/h8,17H,3-7H2,1-2H3,(H2,13,16)
InChIKeyZZZJNXVEWIWJHR-UHFFFAOYSA-N
XLogP1.08
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136907295
N'-hydroxy-6-methyl-2-(3-pyridin-4-ylpropoxy)pyrimidine-4-carboximidamide
CID 136907231
N'-hydroxy-6-methyl-2-(2-methylbutan-2-yloxy)pyrimidine-4-carboximidamide
CID 136907221
2-(2-ethoxyethoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550869
N'-hydroxy-2-(2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 136907097
N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide
CID 61299054
4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76905016
2-(2-butoxyethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109715
6-methyl-2-propoxypyrimidine-4-carboxylic acid
CID 55269382
2-(3-butoxypropylamino)-6-methylpyrimidine-4-carbothioamide
CID 107548070
2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136907156
N'-hydroxy-6-methyl-2-(2,3,5-trimethylphenoxy)pyrimidine-4-carboximidamide
CID 136907204

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-(2-butoxyethoxy)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide (CID 136907212) is 2-(2-butoxyethoxy)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(2-butoxyethoxy)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-(2-butoxyethoxy)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide is CCCCOCCOc1nc(C)cc(/C(N)=N/O)n1.
What is the InChIKey of 2-(2-butoxyethoxy)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The InChIKey is ZZZJNXVEWIWJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-3-4-5-18-6-7-19-12-14-9(2)8-10(15-12)11(13)16-17/h8,17H,3-7H2,1-2H3,(H2,13,16).
What are the key properties of 2-(2-butoxyethoxy)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
2-(2-butoxyethoxy)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide has a molecular weight of 268.32 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 136907212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).