N-(2,5-difluoro-4-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine

C13H15F2N5 — CID 103587913

IUPACN-(2,5-difluoro-4-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
SMILESCCc1nc(NN)cc(Nc2cc(F)c(C)cc2F)n1
InChIInChI=1S/C13H15F2N5/c1-3-11-18-12(6-13(19-11)20-16)17-10-5-8(14)7(2)4-9(10)15/h4-6H,3,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyWCBQNQCEPQHWSQ-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.65
Rot. Bonds4

About N-(2,5-difluoro-4-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine

N-(2,5-difluoro-4-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine (PubChem CID 103587913) has the molecular formula C13H15F2N5 and a molecular weight of 279.29 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
PubChem CID103587913
Molecular FormulaC13H15F2N5
Molecular Weight279.29 g/mol
Exact Mass279.13
IUPAC NameN-(2,5-difluoro-4-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
SMILESCCc1nc(NN)cc(Nc2cc(F)c(C)cc2F)n1
InChIInChI=1S/C13H15F2N5/c1-3-11-18-12(6-13(19-11)20-16)17-10-5-8(14)7(2)4-9(10)15/h4-6H,3,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyWCBQNQCEPQHWSQ-UHFFFAOYSA-N
XLogP2.65
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.65
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

N-(2,5-difluoro-4-methylphenyl)-6-hydrazinylpyrazin-2-amine
CID 103587925
N-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937232
4-N-(4-bromo-2,5-difluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 107608393
N-(2-chlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80938024
N-(4-bromo-3-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937868
4-chloro-2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 80937547
4-N-(5-chloro-2-fluorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933034
6-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyridine-2,6-diamine
CID 103587849
2-N-(2,5-difluoro-4-methylphenyl)-6-N-ethylpyrazine-2,6-diamine
CID 103587838
4-N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 107594483
4-N-(5-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934267
4-N-(5-chloro-2-fluorophenyl)-2-ethylpyrimidine-4,6-diamine
CID 80934192

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(2,5-difluoro-4-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine (CID 103587913) is N-(2,5-difluoro-4-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(2,5-difluoro-4-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(2,5-difluoro-4-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine is CCc1nc(NN)cc(Nc2cc(F)c(C)cc2F)n1.
What is the InChIKey of N-(2,5-difluoro-4-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine?
The InChIKey is WCBQNQCEPQHWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N5/c1-3-11-18-12(6-13(19-11)20-16)17-10-5-8(14)7(2)4-9(10)15/h4-6H,3,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-(2,5-difluoro-4-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine?
N-(2,5-difluoro-4-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine has a molecular weight of 279.29 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 103587913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).