5-ethyl-N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine

C13H16FN5O — CID 80905202

IUPAC5-ethyl-N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine
SMILESCCc1c(NN)ncnc1Nc1ccc(F)cc1OC
InChIInChI=1S/C13H16FN5O/c1-3-9-12(16-7-17-13(9)19-15)18-10-5-4-8(14)6-11(10)20-2/h4-7H,3,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyPKKJSPFGKRLBAA-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.22
Rot. Bonds5

About 5-ethyl-N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine

5-ethyl-N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine (PubChem CID 80905202) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is 5-ethyl-N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine
PubChem CID80905202
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC Name5-ethyl-N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine
SMILESCCc1c(NN)ncnc1Nc1ccc(F)cc1OC
InChIInChI=1S/C13H16FN5O/c1-3-9-12(16-7-17-13(9)19-15)18-10-5-4-8(14)6-11(10)20-2/h4-7H,3,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyPKKJSPFGKRLBAA-UHFFFAOYSA-N
XLogP2.22
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-(2,4-dimethoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80913595
[5-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 102989646
N-(2-bromo-5-methoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80924194
N-(3,5-dimethoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80912719
6-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 63728648
N-(3-bromo-4-methoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80925138
4-N-(2,4-difluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80761337
5-fluoro-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile
CID 82683530
4-N-(4-fluoro-2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 80804524
(4-fluoro-2-methoxyphenyl)hydrazine;hydrochloride
CID 118988799
4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80759222
N-(2-chloro-4-iodophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 107604941

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine (CID 80905202) is 5-ethyl-N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine is CCc1c(NN)ncnc1Nc1ccc(F)cc1OC.
What is the InChIKey of 5-ethyl-N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine?
The InChIKey is PKKJSPFGKRLBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O/c1-3-9-12(16-7-17-13(9)19-15)18-10-5-4-8(14)6-11(10)20-2/h4-7H,3,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-ethyl-N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine?
5-ethyl-N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine has a molecular weight of 277.30 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80905202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).