N-(2-chloro-5-fluorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine

C10H8ClF2N5 — CID 107531935

IUPACN-(2-chloro-5-fluorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(F)c(Nc2cc(F)ccc2Cl)n1
InChIInChI=1S/C10H8ClF2N5/c11-6-2-1-5(12)3-8(6)16-9-7(13)4-15-10(17-9)18-14/h1-4H,14H2,(H2,15,16,17,18)
InChIKeyNVEAUSBGBYTTQK-UHFFFAOYSA-N
MW271.66 g/mol
LogP2.44
Rot. Bonds3

About N-(2-chloro-5-fluorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine

N-(2-chloro-5-fluorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine (PubChem CID 107531935) has the molecular formula C10H8ClF2N5 and a molecular weight of 271.66 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
PubChem CID107531935
Molecular FormulaC10H8ClF2N5
Molecular Weight271.66 g/mol
Exact Mass271.04
IUPAC NameN-(2-chloro-5-fluorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(F)c(Nc2cc(F)ccc2Cl)n1
InChIInChI=1S/C10H8ClF2N5/c11-6-2-1-5(12)3-8(6)16-9-7(13)4-15-10(17-9)18-14/h1-4H,14H2,(H2,15,16,17,18)
InChIKeyNVEAUSBGBYTTQK-UHFFFAOYSA-N
XLogP2.44
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.66
LogP ≤ 52.44
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-(2-chloro-5-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 107531896
N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80911429
N-(3,5-dichlorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80927122
N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927969
4-N-(2-chloro-5-fluorophenyl)pyrimidine-4,5-diamine
CID 107526809
4-N-(2-bromo-5-fluorophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 107639327
5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762276
5-chloro-N-(2,6-dichloro-4-fluorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 83082007
3-bromo-4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 114002302
5-chloro-N-(2-chloro-5-fluorophenyl)pyridin-2-amine
CID 107531088
5-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine
CID 80911957
2-N-ethyl-5-fluoro-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
CID 80760195

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine (CID 107531935) is N-(2-chloro-5-fluorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine is NNc1ncc(F)c(Nc2cc(F)ccc2Cl)n1.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The InChIKey is NVEAUSBGBYTTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2N5/c11-6-2-1-5(12)3-8(6)16-9-7(13)4-15-10(17-9)18-14/h1-4H,14H2,(H2,15,16,17,18).
What are the key properties of N-(2-chloro-5-fluorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
N-(2-chloro-5-fluorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine has a molecular weight of 271.66 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 107531935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).