[2-(3-chlorophenoxy)-1-pyrimidin-5-ylethyl]hydrazine

C12H13ClN4O — CID 105292048

IUPAC[2-(3-chlorophenoxy)-1-pyrimidin-5-ylethyl]hydrazine
SMILESNNC(COc1cccc(Cl)c1)c1cncnc1
InChIInChI=1S/C12H13ClN4O/c13-10-2-1-3-11(4-10)18-7-12(17-14)9-5-15-8-16-6-9/h1-6,8,12,17H,7,14H2
InChIKeyHPMFFOWTFNONQR-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.71
Rot. Bonds5

About [2-(3-chlorophenoxy)-1-pyrimidin-5-ylethyl]hydrazine

[2-(3-chlorophenoxy)-1-pyrimidin-5-ylethyl]hydrazine (PubChem CID 105292048) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is [2-(3-chlorophenoxy)-1-pyrimidin-5-ylethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-chlorophenoxy)-1-pyrimidin-5-ylethyl]hydrazine
PubChem CID105292048
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name[2-(3-chlorophenoxy)-1-pyrimidin-5-ylethyl]hydrazine
SMILESNNC(COc1cccc(Cl)c1)c1cncnc1
InChIInChI=1S/C12H13ClN4O/c13-10-2-1-3-11(4-10)18-7-12(17-14)9-5-15-8-16-6-9/h1-6,8,12,17H,7,14H2
InChIKeyHPMFFOWTFNONQR-UHFFFAOYSA-N
XLogP1.71
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.71
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

[2-(3-chlorophenoxy)-1-(5-methylthiophen-3-yl)ethyl]hydrazine
CID 105313151
[1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethyl]hydrazine
CID 105300805
[2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine
CID 105307108
2-(3-chlorophenoxy)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105102021
[2-(4-chlorophenoxy)-1-(3,4-dichlorophenyl)ethyl]hydrazine
CID 105281305
2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol
CID 105121340
1-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 112692970
2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
[2-(3-chlorophenyl)sulfanyl-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine
CID 105237899
2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine
CID 105118874
2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine
CID 105076148
1-(3-chlorophenoxy)propan-2-amine;hydrochloride
CID 86262438

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenoxy)-1-pyrimidin-5-ylethyl]hydrazine?
The IUPAC name of [2-(3-chlorophenoxy)-1-pyrimidin-5-ylethyl]hydrazine (CID 105292048) is [2-(3-chlorophenoxy)-1-pyrimidin-5-ylethyl]hydrazine.
What is the SMILES notation for [2-(3-chlorophenoxy)-1-pyrimidin-5-ylethyl]hydrazine?
The canonical SMILES for [2-(3-chlorophenoxy)-1-pyrimidin-5-ylethyl]hydrazine is NNC(COc1cccc(Cl)c1)c1cncnc1.
What is the InChIKey of [2-(3-chlorophenoxy)-1-pyrimidin-5-ylethyl]hydrazine?
The InChIKey is HPMFFOWTFNONQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c13-10-2-1-3-11(4-10)18-7-12(17-14)9-5-15-8-16-6-9/h1-6,8,12,17H,7,14H2.
What are the key properties of [2-(3-chlorophenoxy)-1-pyrimidin-5-ylethyl]hydrazine?
[2-(3-chlorophenoxy)-1-pyrimidin-5-ylethyl]hydrazine has a molecular weight of 264.72 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenoxy)-1-pyrimidin-5-ylethyl]hydrazine is sourced from PubChem (CID 105292048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).