ethyl (1E)-N-pyrimidin-5-yloxyethanimidate

C8H11N3O2 — CID 51361061

IUPACethyl (1E)-N-pyrimidin-5-yloxyethanimidate
SMILESCCO/C(C)=N/Oc1cncnc1
InChIInChI=1S/C8H11N3O2/c1-3-12-7(2)11-13-8-4-9-6-10-5-8/h4-6H,3H2,1-2H3/b11-7+
InChIKeyPEISLKYZPMYGPF-YRNVUSSQSA-N
MW181.19 g/mol
LogP1.23
Rot. Bonds3

About ethyl (1E)-N-pyrimidin-5-yloxyethanimidate

ethyl (1E)-N-pyrimidin-5-yloxyethanimidate (PubChem CID 51361061) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethyl (1E)-N-pyrimidin-5-yloxyethanimidate.

Molecular Properties

Compound Nameethyl (1E)-N-pyrimidin-5-yloxyethanimidate
PubChem CID51361061
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Nameethyl (1E)-N-pyrimidin-5-yloxyethanimidate
SMILESCCO/C(C)=N/Oc1cncnc1
InChIInChI=1S/C8H11N3O2/c1-3-12-7(2)11-13-8-4-9-6-10-5-8/h4-6H,3H2,1-2H3/b11-7+
InChIKeyPEISLKYZPMYGPF-YRNVUSSQSA-N
XLogP1.23
TPSA56.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.23
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl (1E)-N-pyrimidin-5-yloxyethanimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-5-methoxypyrimidine
CID 2305244
Pyrimidin-5-ol
CID 565855
5-Pyrimidinol, 2-(1,1-dimethylethyl)-, sodium salt (1:1)
CID 44152889
2-Chloro-5-methoxypyrimidine
CID 589058
5-Pyrimidinol, 2-(1,1-dimethylethyl)-
CID 163499
4-Pyrimidinamine, 2,5-dimethoxy-
CID 250370
5-Methoxypyrimidine
CID 573467
2-Fluoro-5-methoxypyrimidine
CID 581840
2-Methoxypyrimidin-5-ol
CID 13302366
2-Chloro-5-(propan-2-yloxy)pyrimidine
CID 58057924
5-Methoxy-2-(tributylstannyl)pyrimidine
CID 71270218
2-Bromo-5-methoxypyrimidine
CID 72207412

Frequently Asked Questions

What is the IUPAC name of ethyl (1E)-N-pyrimidin-5-yloxyethanimidate?
The IUPAC name of ethyl (1E)-N-pyrimidin-5-yloxyethanimidate (CID 51361061) is ethyl (1E)-N-pyrimidin-5-yloxyethanimidate.
What is the SMILES notation for ethyl (1E)-N-pyrimidin-5-yloxyethanimidate?
The canonical SMILES for ethyl (1E)-N-pyrimidin-5-yloxyethanimidate is CCO/C(C)=N/Oc1cncnc1.
What is the InChIKey of ethyl (1E)-N-pyrimidin-5-yloxyethanimidate?
The InChIKey is PEISLKYZPMYGPF-YRNVUSSQSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-3-12-7(2)11-13-8-4-9-6-10-5-8/h4-6H,3H2,1-2H3/b11-7+.
What are the key properties of ethyl (1E)-N-pyrimidin-5-yloxyethanimidate?
ethyl (1E)-N-pyrimidin-5-yloxyethanimidate has a molecular weight of 181.19 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1E)-N-pyrimidin-5-yloxyethanimidate is sourced from PubChem (CID 51361061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).