N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine

C17H14F4N6 — CID 124845821

IUPACN-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nn(C)c(F)c1/C=N\Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1
InChIInChI=1S/C17H14F4N6/c1-10-12(15(18)27(2)26-10)9-22-25-16-23-13(11-6-4-3-5-7-11)8-14(24-16)17(19,20)21/h3-9H,1-2H3,(H,23,24,25)/b22-9-
InChIKeyHUBDGEZBRUDFTO-AFPJDJCSSA-N
MW378.33 g/mol
LogP3.79
Rot. Bonds4

About N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine

N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 124845821) has the molecular formula C17H14F4N6 and a molecular weight of 378.33 g/mol. Its IUPAC name is N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID124845821
Molecular FormulaC17H14F4N6
Molecular Weight378.33 g/mol
Exact Mass378.12
IUPAC NameN-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nn(C)c(F)c1/C=N\Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1
InChIInChI=1S/C17H14F4N6/c1-10-12(15(18)27(2)26-10)9-22-25-16-23-13(11-6-4-3-5-7-11)8-14(24-16)17(19,20)21/h3-9H,1-2H3,(H,23,24,25)/b22-9-
InChIKeyHUBDGEZBRUDFTO-AFPJDJCSSA-N
XLogP3.79
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-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-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 124845821) is N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine is Cc1nn(C)c(F)c1/C=N\Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1.
What is the InChIKey of N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is HUBDGEZBRUDFTO-AFPJDJCSSA-N. The full InChI is InChI=1S/C17H14F4N6/c1-10-12(15(18)27(2)26-10)9-22-25-16-23-13(11-6-4-3-5-7-11)8-14(24-16)17(19,20)21/h3-9H,1-2H3,(H,23,24,25)/b22-9-.
What are the key properties of N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine?
N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 378.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 124845821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).