[5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine

C12H13ClN4O — CID 80913199

IUPAC[5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine
SMILESCCc1cccc(Oc2nc(NN)ncc2Cl)c1
InChIInChI=1S/C12H13ClN4O/c1-2-8-4-3-5-9(6-8)18-11-10(13)7-15-12(16-11)17-14/h3-7H,2,14H2,1H3,(H,15,16,17)
InChIKeyPPGMHSPAXYTWIZ-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.77
Rot. Bonds4

About [5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine

[5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine (PubChem CID 80913199) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is [5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine
PubChem CID80913199
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name[5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine
SMILESCCc1cccc(Oc2nc(NN)ncc2Cl)c1
InChIInChI=1S/C12H13ClN4O/c1-2-8-4-3-5-9(6-8)18-11-10(13)7-15-12(16-11)17-14/h3-7H,2,14H2,1H3,(H,15,16,17)
InChIKeyPPGMHSPAXYTWIZ-UHFFFAOYSA-N
XLogP2.77
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.77
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'}

Analyze [5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine
CID 80914939
[3-[5-chloro-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80873058
4-(3-ethylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80860603
[5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-yl]hydrazine
CID 80917000
5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881200
[4-(3-ethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 80913357
2-chloro-4-(3-ethylphenoxy)-5-fluoropyrimidine
CID 79081904
1-[3-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
CID 106486506
[5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine
CID 80918493
(5-chloro-4-methoxypyrimidin-2-yl)hydrazine
CID 80911079
5-chloro-N-ethyl-4-(3-nitrophenoxy)pyrimidin-2-amine
CID 80871947
3-(5-chloro-2-hydrazinylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
CID 103568494

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine (CID 80913199) is [5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine is CCc1cccc(Oc2nc(NN)ncc2Cl)c1.
What is the InChIKey of [5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine?
The InChIKey is PPGMHSPAXYTWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-2-8-4-3-5-9(6-8)18-11-10(13)7-15-12(16-11)17-14/h3-7H,2,14H2,1H3,(H,15,16,17).
What are the key properties of [5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine?
[5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine has a molecular weight of 264.72 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80913199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).