[6-(3,5-difluorophenoxy)-2-propylpyrimidin-4-yl]hydrazine

C13H14F2N4O — CID 80947113

IUPAC[6-(3,5-difluorophenoxy)-2-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1nc(NN)cc(Oc2cc(F)cc(F)c2)n1
InChIInChI=1S/C13H14F2N4O/c1-2-3-11-17-12(19-16)7-13(18-11)20-10-5-8(14)4-9(15)6-10/h4-7H,2-3,16H2,1H3,(H,17,18,19)
InChIKeyNYDQFBOKSMWILD-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.79
Rot. Bonds5

About [6-(3,5-difluorophenoxy)-2-propylpyrimidin-4-yl]hydrazine

[6-(3,5-difluorophenoxy)-2-propylpyrimidin-4-yl]hydrazine (PubChem CID 80947113) has the molecular formula C13H14F2N4O and a molecular weight of 280.28 g/mol. Its IUPAC name is [6-(3,5-difluorophenoxy)-2-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3,5-difluorophenoxy)-2-propylpyrimidin-4-yl]hydrazine
PubChem CID80947113
Molecular FormulaC13H14F2N4O
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name[6-(3,5-difluorophenoxy)-2-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1nc(NN)cc(Oc2cc(F)cc(F)c2)n1
InChIInChI=1S/C13H14F2N4O/c1-2-3-11-17-12(19-16)7-13(18-11)20-10-5-8(14)4-9(15)6-10/h4-7H,2-3,16H2,1H3,(H,17,18,19)
InChIKeyNYDQFBOKSMWILD-UHFFFAOYSA-N
XLogP2.79
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.79
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 [6-(3,5-difluorophenoxy)-2-propylpyrimidin-4-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

(6-phenoxy-2-propylpyrimidin-4-yl)hydrazine
CID 80946591
[6-(4-bromophenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947208
4-chloro-6-(3,5-difluorophenoxy)-2-propylpyrimidine
CID 80939932
(6-ethoxy-2-propylpyrimidin-4-yl)hydrazine
CID 80947198
[6-(3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947768
[6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 107662936
[6-(2,5-dimethylpyrazol-3-yl)oxy-2-propylpyrimidin-4-yl]hydrazine
CID 81346337
[6-(2-methylbutan-2-yloxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80946586
(2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine
CID 80939130
2-(6-hydrazinyl-2-propylpyrimidin-4-yl)oxy-N,N-dimethylethanamine
CID 80947210
[6-(3-methylbutoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947494
N-(2,6-dichloro-4-fluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 83073478

Frequently Asked Questions

What is the IUPAC name of [6-(3,5-difluorophenoxy)-2-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3,5-difluorophenoxy)-2-propylpyrimidin-4-yl]hydrazine (CID 80947113) is [6-(3,5-difluorophenoxy)-2-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3,5-difluorophenoxy)-2-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3,5-difluorophenoxy)-2-propylpyrimidin-4-yl]hydrazine is CCCc1nc(NN)cc(Oc2cc(F)cc(F)c2)n1.
What is the InChIKey of [6-(3,5-difluorophenoxy)-2-propylpyrimidin-4-yl]hydrazine?
The InChIKey is NYDQFBOKSMWILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O/c1-2-3-11-17-12(19-16)7-13(18-11)20-10-5-8(14)4-9(15)6-10/h4-7H,2-3,16H2,1H3,(H,17,18,19).
What are the key properties of [6-(3,5-difluorophenoxy)-2-propylpyrimidin-4-yl]hydrazine?
[6-(3,5-difluorophenoxy)-2-propylpyrimidin-4-yl]hydrazine has a molecular weight of 280.28 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,5-difluorophenoxy)-2-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80947113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).