2-(2-tert-butylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide

C15H18N4O2 — CID 136907160

IUPAC2-(2-tert-butylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide
SMILESCC(C)(C)c1ccccc1Oc1nccc(/C(N)=N/O)n1
InChIInChI=1S/C15H18N4O2/c1-15(2,3)10-6-4-5-7-12(10)21-14-17-9-8-11(18-14)13(16)19-20/h4-9,20H,1-3H3,(H2,16,19)
InChIKeyVLTAMOMQWUDQGT-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.66
Rot. Bonds3

About 2-(2-tert-butylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide

2-(2-tert-butylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide (PubChem CID 136907160) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide
PubChem CID136907160
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-(2-tert-butylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide
SMILESCC(C)(C)c1ccccc1Oc1nccc(/C(N)=N/O)n1
InChIInChI=1S/C15H18N4O2/c1-15(2,3)10-6-4-5-7-12(10)21-14-17-9-8-11(18-14)13(16)19-20/h4-9,20H,1-3H3,(H2,16,19)
InChIKeyVLTAMOMQWUDQGT-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
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-tert-butylphenoxy)pyrimidine-4-carboximidamide
CID 107550918
N'-hydroxy-2-phenoxypyrimidine-4-carboximidamide
CID 136907091
2-(2,3-dichlorophenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907185
2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907157
N'-hydroxy-2-(3-propan-2-ylphenoxy)pyrimidine-4-carboximidamide
CID 136907170
N'-hydroxy-2-[3-(methoxymethyl)phenoxy]pyrimidine-4-carboximidamide
CID 136907355
2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyrimidine-4-carboximidamide
CID 136986806
N'-hydroxy-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboximidamide
CID 136907230
2-(3,4-dimethylcyclohexyl)oxy-N'-hydroxypyrimidine-4-carboximidamide
CID 136907373
N'-hydroxy-2-(2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 136907097
N'-hydroxy-2-(1-methylpyrrolidin-3-yl)oxypyrimidine-4-carboximidamide
CID 136949020
2-(2-bromophenoxy)pyrimidine-4-carbothioamide
CID 107548482

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide (CID 136907160) is 2-(2-tert-butylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide is CC(C)(C)c1ccccc1Oc1nccc(/C(N)=N/O)n1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide?
The InChIKey is VLTAMOMQWUDQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-15(2,3)10-6-4-5-7-12(10)21-14-17-9-8-11(18-14)13(16)19-20/h4-9,20H,1-3H3,(H2,16,19).
What are the key properties of 2-(2-tert-butylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide?
2-(2-tert-butylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide has a molecular weight of 286.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide is sourced from PubChem (CID 136907160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).