[4-(difluoromethyl)-6-(4-fluorophenyl)pyrimidin-2-yl]hydrazine

C11H9F3N4 — CID 7018671

IUPAC[4-(difluoromethyl)-6-(4-fluorophenyl)pyrimidin-2-yl]hydrazine
SMILESNNc1nc(-c2ccc(F)cc2)cc(C(F)F)n1
InChIInChI=1S/C11H9F3N4/c12-7-3-1-6(2-4-7)8-5-9(10(13)14)17-11(16-8)18-15/h1-5,10H,15H2,(H,16,17,18)
InChIKeySPYHWIQCEGJKHN-UHFFFAOYSA-N
MW254.22 g/mol
LogP2.51
Rot. Bonds3

About [4-(difluoromethyl)-6-(4-fluorophenyl)pyrimidin-2-yl]hydrazine

[4-(difluoromethyl)-6-(4-fluorophenyl)pyrimidin-2-yl]hydrazine (PubChem CID 7018671) has the molecular formula C11H9F3N4 and a molecular weight of 254.22 g/mol. Its IUPAC name is [4-(difluoromethyl)-6-(4-fluorophenyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(difluoromethyl)-6-(4-fluorophenyl)pyrimidin-2-yl]hydrazine
PubChem CID7018671
Molecular FormulaC11H9F3N4
Molecular Weight254.22 g/mol
Exact Mass254.08
IUPAC Name[4-(difluoromethyl)-6-(4-fluorophenyl)pyrimidin-2-yl]hydrazine
SMILESNNc1nc(-c2ccc(F)cc2)cc(C(F)F)n1
InChIInChI=1S/C11H9F3N4/c12-7-3-1-6(2-4-7)8-5-9(10(13)14)17-11(16-8)18-15/h1-5,10H,15H2,(H,16,17,18)
InChIKeySPYHWIQCEGJKHN-UHFFFAOYSA-N
XLogP2.51
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 52.51
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 [4-(difluoromethyl)-6-(4-fluorophenyl)pyrimidin-2-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

[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]hydrazine
CID 19621434
4-(difluoromethyl)-6-(4-fluorophenyl)-N-(3-methoxypropyl)pyrimidin-2-amine
CID 44821612
4-(difluoromethyl)-6-(4-fluorophenyl)-N-[(E)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]pyrimidin-2-amine
CID 119056193
4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-amine
CID 14545360
[4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-yl]hydrazine
CID 7017806
[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]hydrazine
CID 82192450
[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine
CID 23649159
4-(difluoromethyl)-2-iodo-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 57468610
[4-(4-fluorophenyl)-6-(4-nitrophenyl)pyrimidin-2-yl]urea
CID 46704086
4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(3-ethoxypropyl)pyrimidin-2-amine
CID 44821784
[2-(difluoromethyl)-6,8-difluoroquinolin-4-yl]hydrazine
CID 62892994
[4-(3-methylphenyl)-6-phenylpyrimidin-2-yl]hydrazine
CID 23649130

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-6-(4-fluorophenyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(difluoromethyl)-6-(4-fluorophenyl)pyrimidin-2-yl]hydrazine (CID 7018671) is [4-(difluoromethyl)-6-(4-fluorophenyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(difluoromethyl)-6-(4-fluorophenyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(difluoromethyl)-6-(4-fluorophenyl)pyrimidin-2-yl]hydrazine is NNc1nc(-c2ccc(F)cc2)cc(C(F)F)n1.
What is the InChIKey of [4-(difluoromethyl)-6-(4-fluorophenyl)pyrimidin-2-yl]hydrazine?
The InChIKey is SPYHWIQCEGJKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4/c12-7-3-1-6(2-4-7)8-5-9(10(13)14)17-11(16-8)18-15/h1-5,10H,15H2,(H,16,17,18).
What are the key properties of [4-(difluoromethyl)-6-(4-fluorophenyl)pyrimidin-2-yl]hydrazine?
[4-(difluoromethyl)-6-(4-fluorophenyl)pyrimidin-2-yl]hydrazine has a molecular weight of 254.22 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-6-(4-fluorophenyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 7018671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).