[5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-yl]hydrazine

C13H13ClN4O — CID 80912130

IUPAC[5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-yl]hydrazine
SMILESC/C=C/c1ccccc1Oc1nc(NN)ncc1Cl
InChIInChI=1S/C13H13ClN4O/c1-2-5-9-6-3-4-7-11(9)19-12-10(14)8-16-13(17-12)18-15/h2-8H,15H2,1H3,(H,16,17,18)/b5-2+
InChIKeyGCVAYRDYIHMCJC-GORDUTHDSA-N
MW276.73 g/mol
LogP3.24
Rot. Bonds4

About [5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-yl]hydrazine

[5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-yl]hydrazine (PubChem CID 80912130) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is [5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-yl]hydrazine
PubChem CID80912130
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name[5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-yl]hydrazine
SMILESC/C=C/c1ccccc1Oc1nc(NN)ncc1Cl
InChIInChI=1S/C13H13ClN4O/c1-2-5-9-6-3-4-7-11(9)19-12-10(14)8-16-13(17-12)18-15/h2-8H,15H2,1H3,(H,16,17,18)/b5-2+
InChIKeyGCVAYRDYIHMCJC-GORDUTHDSA-N
XLogP3.24
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 53.24
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-[2-[(E)-prop-1-enyl]phenoxy]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

2,5-Dichloro-4-phenoxypyrimidine
CID 12875050
2-Chloro-5-methyl-4-phenoxypyrimidine
CID 59868882
2-Hydrazino-4-phenoxypyrimidine
CID 16752170
[4-(4-Fluorophenoxy)pyrimidin-2-yl]hydrazine
CID 80915383
4-Chloro-6-(4-fluoro-2-methylphenoxy)pyrimidine
CID 24715723
5-[(E)-2-(2-methoxyphenyl)ethenyl]pyrimidine
CID 127036446
5-Chloro-2-[2-(trifluoromethyl)phenoxy]pyrimidine
CID 13911575
5-Chloro-2-[2-(difluoromethyl)phenoxy]pyrimidine
CID 14579701
5-Fluoro-2-(2-methylphenoxy)pyrimidin-4-amine
CID 71273155
5-Chloro-2-(3,4,5-trifluoro-2-methylphenoxy)pyrimidine
CID 88622023
5-Fluoro-4-(2-methylphenoxy)pyrimidine
CID 91240262
2,5-Dichloro-4-[2-[4-[[4-(trifluoromethyl)-4,5-dihydropyrimidin-2-yl]oxy]phenyl]ethoxy]pyrimidine
CID 123380768

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-yl]hydrazine (CID 80912130) is [5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-yl]hydrazine is C/C=C/c1ccccc1Oc1nc(NN)ncc1Cl.
What is the InChIKey of [5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-yl]hydrazine?
The InChIKey is GCVAYRDYIHMCJC-GORDUTHDSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-2-5-9-6-3-4-7-11(9)19-12-10(14)8-16-13(17-12)18-15/h2-8H,15H2,1H3,(H,16,17,18)/b5-2+.
What are the key properties of [5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-yl]hydrazine?
[5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-yl]hydrazine has a molecular weight of 276.73 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80912130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).