2-cycloheptyloxy-N'-hydroxypyrimidine-4-carboximidamide

C12H18N4O2 — CID 136907287

IUPAC2-cycloheptyloxy-N'-hydroxypyrimidine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(OC2CCCCCC2)n1
InChIInChI=1S/C12H18N4O2/c13-11(16-17)10-7-8-14-12(15-10)18-9-5-3-1-2-4-6-9/h7-9,17H,1-6H2,(H2,13,16)
InChIKeyYTYQNMGRTGATQO-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.67
Rot. Bonds3

About 2-cycloheptyloxy-N'-hydroxypyrimidine-4-carboximidamide

2-cycloheptyloxy-N'-hydroxypyrimidine-4-carboximidamide (PubChem CID 136907287) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-cycloheptyloxy-N'-hydroxypyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-cycloheptyloxy-N'-hydroxypyrimidine-4-carboximidamide
PubChem CID136907287
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-cycloheptyloxy-N'-hydroxypyrimidine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(OC2CCCCCC2)n1
InChIInChI=1S/C12H18N4O2/c13-11(16-17)10-7-8-14-12(15-10)18-9-5-3-1-2-4-6-9/h7-9,17H,1-6H2,(H2,13,16)
InChIKeyYTYQNMGRTGATQO-UHFFFAOYSA-N
XLogP1.67
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.67
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-cycloheptyloxypyrimidine-4-carbothioamide
CID 107548590
2-(3,4-dimethylcyclohexyl)oxy-N'-hydroxypyrimidine-4-carboximidamide
CID 136907373
N'-hydroxy-2-(1-methylpyrrolidin-3-yl)oxypyrimidine-4-carboximidamide
CID 136949020
2-cycloheptyloxypyrimidine-4-carboximidamide
CID 107551067
N'-hydroxy-2-phenoxypyrimidine-4-carboximidamide
CID 136907091
5-cyclobutyloxy-N'-hydroxypyridine-2-carboximidamide
CID 136990877
2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907157
2-cycloheptyloxypyrimidine-4-carbonitrile
CID 107545864
2-(2-tert-butylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907160
2-(2,3-dichlorophenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907185
2-(4-cyclopentylpiperazin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906689
N'-hydroxy-2-(4-methoxypiperidin-1-yl)pyrimidine-4-carboximidamide
CID 136986695

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyloxy-N'-hydroxypyrimidine-4-carboximidamide?
The IUPAC name of 2-cycloheptyloxy-N'-hydroxypyrimidine-4-carboximidamide (CID 136907287) is 2-cycloheptyloxy-N'-hydroxypyrimidine-4-carboximidamide.
What is the SMILES notation for 2-cycloheptyloxy-N'-hydroxypyrimidine-4-carboximidamide?
The canonical SMILES for 2-cycloheptyloxy-N'-hydroxypyrimidine-4-carboximidamide is N/C(=N/O)c1ccnc(OC2CCCCCC2)n1.
What is the InChIKey of 2-cycloheptyloxy-N'-hydroxypyrimidine-4-carboximidamide?
The InChIKey is YTYQNMGRTGATQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c13-11(16-17)10-7-8-14-12(15-10)18-9-5-3-1-2-4-6-9/h7-9,17H,1-6H2,(H2,13,16).
What are the key properties of 2-cycloheptyloxy-N'-hydroxypyrimidine-4-carboximidamide?
2-cycloheptyloxy-N'-hydroxypyrimidine-4-carboximidamide has a molecular weight of 250.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyloxy-N'-hydroxypyrimidine-4-carboximidamide is sourced from PubChem (CID 136907287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).