[2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine

C13H12F4N4 — CID 115350539

IUPAC[2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1nc(-c2cc(F)cc(C(F)(F)F)c2)nc(NN)c1C
InChIInChI=1S/C13H12F4N4/c1-6-7(2)19-12(20-11(6)21-18)8-3-9(13(15,16)17)5-10(14)4-8/h3-5H,18H2,1-2H3,(H,19,20,21)
InChIKeyBJTOWRHOXDVXOR-UHFFFAOYSA-N
MW300.26 g/mol
LogP3.20
Rot. Bonds2

About [2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine

[2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine (PubChem CID 115350539) has the molecular formula C13H12F4N4 and a molecular weight of 300.26 g/mol. Its IUPAC name is [2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine
PubChem CID115350539
Molecular FormulaC13H12F4N4
Molecular Weight300.26 g/mol
Exact Mass300.10
IUPAC Name[2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1nc(-c2cc(F)cc(C(F)(F)F)c2)nc(NN)c1C
InChIInChI=1S/C13H12F4N4/c1-6-7(2)19-12(20-11(6)21-18)8-3-9(13(15,16)17)5-10(14)4-8/h3-5H,18H2,1-2H3,(H,19,20,21)
InChIKeyBJTOWRHOXDVXOR-UHFFFAOYSA-N
XLogP3.20
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 53.20
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'}

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Frequently Asked Questions

What is the IUPAC name of [2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine (CID 115350539) is [2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine is Cc1nc(-c2cc(F)cc(C(F)(F)F)c2)nc(NN)c1C.
What is the InChIKey of [2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine?
The InChIKey is BJTOWRHOXDVXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N4/c1-6-7(2)19-12(20-11(6)21-18)8-3-9(13(15,16)17)5-10(14)4-8/h3-5H,18H2,1-2H3,(H,19,20,21).
What are the key properties of [2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine?
[2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine has a molecular weight of 300.26 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 115350539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).