[2-[3-(difluoromethyl)phenyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine

C12H11F3N4 — CID 115528611

IUPAC[2-[3-(difluoromethyl)phenyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(-c2cccc(C(F)F)c2)nc(NN)c1F
InChIInChI=1S/C12H11F3N4/c1-6-9(13)12(19-16)18-11(17-6)8-4-2-3-7(5-8)10(14)15/h2-5,10H,16H2,1H3,(H,17,18,19)
InChIKeyIPUOLOBXWBLYLD-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.81
Rot. Bonds3

About [2-[3-(difluoromethyl)phenyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine

[2-[3-(difluoromethyl)phenyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine (PubChem CID 115528611) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is [2-[3-(difluoromethyl)phenyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[3-(difluoromethyl)phenyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
PubChem CID115528611
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name[2-[3-(difluoromethyl)phenyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(-c2cccc(C(F)F)c2)nc(NN)c1F
InChIInChI=1S/C12H11F3N4/c1-6-9(13)12(19-16)18-11(17-6)8-4-2-3-7(5-8)10(14)15/h2-5,10H,16H2,1H3,(H,17,18,19)
InChIKeyIPUOLOBXWBLYLD-UHFFFAOYSA-N
XLogP2.81
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-[3-(difluoromethyl)phenyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine with MolForge

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

Launch Full Analysis

Related Compounds

[2-(4-chloro-3-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 66000257
[2-(4-bromo-3-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 81441244
[2-[3-(difluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473686
2-[3-(difluoromethyl)phenyl]-6-methylpyrimidin-4-amine
CID 113329089
[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]hydrazine
CID 62252767
[2-(3-bromo-5-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 66424697
2-[3-(difluoromethyl)phenyl]-6-propan-2-ylpyrimidin-4-amine
CID 115528416
2-[3-(difluoromethyl)phenyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 115528392
4,6-dichloro-2-[3-(difluoromethyl)phenyl]-5-propan-2-ylpyrimidine
CID 115527508
[6-methyl-5-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]hydrazine
CID 62915530
[2-(4-fluorophenyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 62916072
[2-(3-bromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 115381279

Frequently Asked Questions

What is the IUPAC name of [2-[3-(difluoromethyl)phenyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[3-(difluoromethyl)phenyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine (CID 115528611) is [2-[3-(difluoromethyl)phenyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[3-(difluoromethyl)phenyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[3-(difluoromethyl)phenyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine is Cc1nc(-c2cccc(C(F)F)c2)nc(NN)c1F.
What is the InChIKey of [2-[3-(difluoromethyl)phenyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
The InChIKey is IPUOLOBXWBLYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c1-6-9(13)12(19-16)18-11(17-6)8-4-2-3-7(5-8)10(14)15/h2-5,10H,16H2,1H3,(H,17,18,19).
What are the key properties of [2-[3-(difluoromethyl)phenyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
[2-[3-(difluoromethyl)phenyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine has a molecular weight of 268.24 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(difluoromethyl)phenyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 115528611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).