N'-hydroxy-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboximidamide

C12H13N5O2 — CID 136907230

IUPACN'-hydroxy-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(OCCc2ccccn2)n1
InChIInChI=1S/C12H13N5O2/c13-11(17-18)10-4-7-15-12(16-10)19-8-5-9-3-1-2-6-14-9/h1-4,6-7,18H,5,8H2,(H2,13,17)
InChIKeyCZCLEHOMGKVGPM-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.59
Rot. Bonds5

About N'-hydroxy-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboximidamide

N'-hydroxy-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboximidamide (PubChem CID 136907230) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is N'-hydroxy-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboximidamide
PubChem CID136907230
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC NameN'-hydroxy-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(OCCc2ccccn2)n1
InChIInChI=1S/C12H13N5O2/c13-11(17-18)10-4-7-15-12(16-10)19-8-5-9-3-1-2-6-14-9/h1-4,6-7,18H,5,8H2,(H2,13,17)
InChIKeyCZCLEHOMGKVGPM-UHFFFAOYSA-N
XLogP0.59
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-phenoxypyrimidine-4-carboximidamide
CID 136907091
2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxypyrimidine-4-carboximidamide
CID 136907412
4-bromo-N'-hydroxy-2-(2-pyridin-2-ylethoxy)benzenecarboximidamide
CID 114904269
2-(2-tert-butylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907160
4-(2-pyridin-2-ylethoxy)pyrimidin-2-amine
CID 80864949
N'-hydroxy-6-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidine-4-carboximidamide
CID 136906374
N'-hydroxy-2-[[1-[3-(methylamino)propyl]cyclopropyl]methoxy]pyrimidine-4-carboximidamide
CID 168909434
N'-hydroxy-5-[methyl(2-pyridin-2-ylethyl)amino]pyridine-2-carboximidamide
CID 136990475
2-(2,3-dichlorophenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907185
[6-methyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methanamine
CID 107542547
2-(3,4-dimethylcyclohexyl)oxy-N'-hydroxypyrimidine-4-carboximidamide
CID 136907373
6-(2-pyridin-2-ylethoxy)pyrazin-2-amine
CID 80646671

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboximidamide (CID 136907230) is N'-hydroxy-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboximidamide is N/C(=N/O)c1ccnc(OCCc2ccccn2)n1.
What is the InChIKey of N'-hydroxy-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboximidamide?
The InChIKey is CZCLEHOMGKVGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c13-11(17-18)10-4-7-15-12(16-10)19-8-5-9-3-1-2-6-14-9/h1-4,6-7,18H,5,8H2,(H2,13,17).
What are the key properties of N'-hydroxy-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboximidamide?
N'-hydroxy-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboximidamide has a molecular weight of 259.27 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboximidamide is sourced from PubChem (CID 136907230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).