(2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine

C12H14N4O — CID 80939130

IUPAC(2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine
SMILESCCc1nc(NN)cc(Oc2ccccc2)n1
InChIInChI=1S/C12H14N4O/c1-2-10-14-11(16-13)8-12(15-10)17-9-6-4-3-5-7-9/h3-8H,2,13H2,1H3,(H,14,15,16)
InChIKeyKKMSZFXYBQFUAT-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.12
Rot. Bonds4

About (2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine

(2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine (PubChem CID 80939130) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is (2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine
PubChem CID80939130
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name(2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine
SMILESCCc1nc(NN)cc(Oc2ccccc2)n1
InChIInChI=1S/C12H14N4O/c1-2-10-14-11(16-13)8-12(15-10)17-9-6-4-3-5-7-9/h3-8H,2,13H2,1H3,(H,14,15,16)
InChIKeyKKMSZFXYBQFUAT-UHFFFAOYSA-N
XLogP2.12
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(6-phenoxy-2-propylpyrimidin-4-yl)hydrazine
CID 80946591
[2-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-yl]hydrazine
CID 80940048
[6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80939353
[2-ethyl-6-(2-phenoxyethoxy)pyrimidin-4-yl]hydrazine
CID 80939342
4-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 80939564
[2-ethyl-6-(2-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 80940358
[6-(2-tert-butylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80939744
[2-ethyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-yl]hydrazine
CID 116794584
[6-(3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947768
[6-(4-bromophenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947208
[2-ethyl-6-(2-methoxy-4-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 80940996
[6-(2-bromo-4-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80940833

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine?
The IUPAC name of (2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine (CID 80939130) is (2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine.
What is the SMILES notation for (2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine?
The canonical SMILES for (2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine is CCc1nc(NN)cc(Oc2ccccc2)n1.
What is the InChIKey of (2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine?
The InChIKey is KKMSZFXYBQFUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-10-14-11(16-13)8-12(15-10)17-9-6-4-3-5-7-9/h3-8H,2,13H2,1H3,(H,14,15,16).
What are the key properties of (2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine?
(2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine has a molecular weight of 230.27 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine is sourced from PubChem (CID 80939130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).