[6-(5-chloro-2-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine

C13H15ClN4O — CID 80938715

IUPAC[6-(5-chloro-2-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)cc(Oc2cc(Cl)ccc2C)n1
InChIInChI=1S/C13H15ClN4O/c1-3-11-16-12(18-15)7-13(17-11)19-10-6-9(14)5-4-8(10)2/h4-7H,3,15H2,1-2H3,(H,16,17,18)
InChIKeyHLIVHIPXDQZJTJ-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.08
Rot. Bonds4

About [6-(5-chloro-2-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine

[6-(5-chloro-2-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine (PubChem CID 80938715) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is [6-(5-chloro-2-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(5-chloro-2-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
PubChem CID80938715
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name[6-(5-chloro-2-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)cc(Oc2cc(Cl)ccc2C)n1
InChIInChI=1S/C13H15ClN4O/c1-3-11-16-12(18-15)7-13(17-11)19-10-6-9(14)5-4-8(10)2/h4-7H,3,15H2,1-2H3,(H,16,17,18)
InChIKeyHLIVHIPXDQZJTJ-UHFFFAOYSA-N
XLogP3.08
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.08
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

4-(5-chloro-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80921660
[6-(5-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80938296
[2-ethyl-6-(2-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 80940358
6-(2,4-dichlorophenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80938694
[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
(2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine
CID 80939130
4-chloro-6-(5-chloro-2-methylphenoxy)-2-propylpyrimidine
CID 80938340
[6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80938302
[6-(2-tert-butylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80939744
4-chloro-6-(4-chloro-2-methylphenoxy)-2-ethylpyrimidine
CID 80944599
[2-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-yl]hydrazine
CID 80940048

Frequently Asked Questions

What is the IUPAC name of [6-(5-chloro-2-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(5-chloro-2-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine (CID 80938715) is [6-(5-chloro-2-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(5-chloro-2-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(5-chloro-2-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine is CCc1nc(NN)cc(Oc2cc(Cl)ccc2C)n1.
What is the InChIKey of [6-(5-chloro-2-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine?
The InChIKey is HLIVHIPXDQZJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-3-11-16-12(18-15)7-13(17-11)19-10-6-9(14)5-4-8(10)2/h4-7H,3,15H2,1-2H3,(H,16,17,18).
What are the key properties of [6-(5-chloro-2-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine?
[6-(5-chloro-2-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine has a molecular weight of 278.74 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-chloro-2-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80938715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).