4-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxybenzonitrile

C13H13N5O — CID 80939564

IUPAC4-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxybenzonitrile
SMILESCCc1nc(NN)cc(Oc2ccc(C#N)cc2)n1
InChIInChI=1S/C13H13N5O/c1-2-11-16-12(18-15)7-13(17-11)19-10-5-3-9(8-14)4-6-10/h3-7H,2,15H2,1H3,(H,16,17,18)
InChIKeyVOFXLFXGLXSWRC-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.99
Rot. Bonds4

About 4-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxybenzonitrile

4-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxybenzonitrile (PubChem CID 80939564) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name4-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxybenzonitrile
PubChem CID80939564
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name4-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxybenzonitrile
SMILESCCc1nc(NN)cc(Oc2ccc(C#N)cc2)n1
InChIInChI=1S/C13H13N5O/c1-2-11-16-12(18-15)7-13(17-11)19-10-5-3-9(8-14)4-6-10/h3-7H,2,15H2,1H3,(H,16,17,18)
InChIKeyVOFXLFXGLXSWRC-UHFFFAOYSA-N
XLogP1.99
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine
CID 80939130
4-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxybenzonitrile
CID 80944234
[2-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-yl]hydrazine
CID 80940048
3-[2-ethyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80941056
[6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80939353
4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxybenzonitrile
CID 81000728
[6-(4-bromophenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947208
(6-phenoxy-2-propylpyrimidin-4-yl)hydrazine
CID 80946591
[2-ethyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-yl]hydrazine
CID 116794584
[2-ethyl-6-(2-phenoxyethoxy)pyrimidin-4-yl]hydrazine
CID 80939342
[2-ethyl-6-(2-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 80940358
[6-(2-bromo-4-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80940833

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxybenzonitrile?
The IUPAC name of 4-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxybenzonitrile (CID 80939564) is 4-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxybenzonitrile.
What is the SMILES notation for 4-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxybenzonitrile?
The canonical SMILES for 4-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxybenzonitrile is CCc1nc(NN)cc(Oc2ccc(C#N)cc2)n1.
What is the InChIKey of 4-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxybenzonitrile?
The InChIKey is VOFXLFXGLXSWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-2-11-16-12(18-15)7-13(17-11)19-10-5-3-9(8-14)4-6-10/h3-7H,2,15H2,1H3,(H,16,17,18).
What are the key properties of 4-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxybenzonitrile?
4-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxybenzonitrile has a molecular weight of 255.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxybenzonitrile is sourced from PubChem (CID 80939564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).