N-(2,5-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine

C11H11F2N5 — CID 80920264

IUPACN-(2,5-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1c(NN)ncnc1Nc1cc(F)ccc1F
InChIInChI=1S/C11H11F2N5/c1-6-10(15-5-16-11(6)18-14)17-9-4-7(12)2-3-8(9)13/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyISNQGSPGZYLUQW-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.09
Rot. Bonds3

About N-(2,5-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine

N-(2,5-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 80920264) has the molecular formula C11H11F2N5 and a molecular weight of 251.24 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID80920264
Molecular FormulaC11H11F2N5
Molecular Weight251.24 g/mol
Exact Mass251.10
IUPAC NameN-(2,5-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1c(NN)ncnc1Nc1cc(F)ccc1F
InChIInChI=1S/C11H11F2N5/c1-6-10(15-5-16-11(6)18-14)17-9-4-7(12)2-3-8(9)13/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyISNQGSPGZYLUQW-UHFFFAOYSA-N
XLogP2.09
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.09
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-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-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-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-(2,5-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine (CID 80920264) is N-(2,5-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2,5-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(2,5-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine is Cc1c(NN)ncnc1Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is ISNQGSPGZYLUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5/c1-6-10(15-5-16-11(6)18-14)17-9-4-7(12)2-3-8(9)13/h2-5H,14H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(2,5-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
N-(2,5-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 251.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80920264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).