N-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine

C12H14FN5 — CID 80927980

IUPACN-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESCCc1cccc(Nc2nc(NN)ncc2F)c1
InChIInChI=1S/C12H14FN5/c1-2-8-4-3-5-9(6-8)16-11-10(13)7-15-12(17-11)18-14/h3-7H,2,14H2,1H3,(H2,15,16,17,18)
InChIKeyHUAUXDXEEGFPJX-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.21
Rot. Bonds4

About N-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine

N-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine (PubChem CID 80927980) has the molecular formula C12H14FN5 and a molecular weight of 247.28 g/mol. Its IUPAC name is N-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
PubChem CID80927980
Molecular FormulaC12H14FN5
Molecular Weight247.28 g/mol
Exact Mass247.12
IUPAC NameN-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESCCc1cccc(Nc2nc(NN)ncc2F)c1
InChIInChI=1S/C12H14FN5/c1-2-8-4-3-5-9(6-8)16-11-10(13)7-15-12(17-11)18-14/h3-7H,2,14H2,1H3,(H2,15,16,17,18)
InChIKeyHUAUXDXEEGFPJX-UHFFFAOYSA-N
XLogP2.21
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.21
H-Bond Donors ≤ 53
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

4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 80762166
2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine
CID 79080610
N-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80920092
2-N,4-N-bis(3-aminophenyl)-5-fluoropyrimidine-2,4-diamine;hydron
CID 69247498
4-N-(4-ethylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80761999
N-(2,3-dihydro-1H-inden-5-yl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80926308
5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
CID 80802102
N-(3,5-dichlorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80927122
5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 22061080
5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 1284769
5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine
CID 86661943
N-(3-ethylphenyl)-6-hydrazinylpyrazin-2-amine
CID 80927434

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine (CID 80927980) is N-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine is CCc1cccc(Nc2nc(NN)ncc2F)c1.
What is the InChIKey of N-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The InChIKey is HUAUXDXEEGFPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5/c1-2-8-4-3-5-9(6-8)16-11-10(13)7-15-12(17-11)18-14/h3-7H,2,14H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
N-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine has a molecular weight of 247.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80927980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).