[6-(3-ethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine

C13H16N4O2 — CID 80930752

IUPAC[6-(3-ethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
SMILESCCOc1cccc(Oc2ncnc(NN)c2C)c1
InChIInChI=1S/C13H16N4O2/c1-3-18-10-5-4-6-11(7-10)19-13-9(2)12(17-14)15-8-16-13/h4-8H,3,14H2,1-2H3,(H,15,16,17)
InChIKeyVUFTZGUPGWRFOY-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.26
Rot. Bonds5

About [6-(3-ethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine

[6-(3-ethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 80930752) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is [6-(3-ethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-ethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
PubChem CID80930752
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name[6-(3-ethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
SMILESCCOc1cccc(Oc2ncnc(NN)c2C)c1
InChIInChI=1S/C13H16N4O2/c1-3-18-10-5-4-6-11(7-10)19-13-9(2)12(17-14)15-8-16-13/h4-8H,3,14H2,1-2H3,(H,15,16,17)
InChIKeyVUFTZGUPGWRFOY-UHFFFAOYSA-N
XLogP2.26
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.26
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

[6-(3,5-dimethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80917651
[6-(4-ethylphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80915337
6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80875364
6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80869818
[5-methyl-6-(2-propoxyphenoxy)pyrimidin-4-yl]hydrazine
CID 80917904
[6-(3-bromophenoxy)-5-ethylpyrimidin-4-yl]hydrazine
CID 80915780
[6-(2-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80916535
[6-(3-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80916000
[5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920169
5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine
CID 80866037
5-bromo-6-(3-ethoxyphenoxy)-4-methylpyridin-3-amine
CID 104507343
6-(3-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80875455

Frequently Asked Questions

What is the IUPAC name of [6-(3-ethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-ethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine (CID 80930752) is [6-(3-ethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-ethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-ethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine is CCOc1cccc(Oc2ncnc(NN)c2C)c1.
What is the InChIKey of [6-(3-ethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is VUFTZGUPGWRFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-18-10-5-4-6-11(7-10)19-13-9(2)12(17-14)15-8-16-13/h4-8H,3,14H2,1-2H3,(H,15,16,17).
What are the key properties of [6-(3-ethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine?
[6-(3-ethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 260.30 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-ethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80930752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).