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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).