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

C14H14F4N6 — CID 124849340

IUPAC4-cyclopropyl-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nn(C)c(F)c1/C=N\Nc1nc(C2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H14F4N6/c1-7-9(12(15)24(2)23-7)6-19-22-13-20-10(8-3-4-8)5-11(21-13)14(16,17)18/h5-6,8H,3-4H2,1-2H3,(H,20,21,22)/b19-6-
InChIKeyOMRVQPCFVHYPGY-SWNXQHNESA-N
MW342.30 g/mol
LogP3.00
Rot. Bonds4

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

4-cyclopropyl-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 124849340) has the molecular formula C14H14F4N6 and a molecular weight of 342.30 g/mol. Its IUPAC name is 4-cyclopropyl-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID124849340
Molecular FormulaC14H14F4N6
Molecular Weight342.30 g/mol
Exact Mass342.12
IUPAC Name4-cyclopropyl-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nn(C)c(F)c1/C=N\Nc1nc(C2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H14F4N6/c1-7-9(12(15)24(2)23-7)6-19-22-13-20-10(8-3-4-8)5-11(21-13)14(16,17)18/h5-6,8H,3-4H2,1-2H3,(H,20,21,22)/b19-6-
InChIKeyOMRVQPCFVHYPGY-SWNXQHNESA-N
XLogP3.00
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 53.00
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 4-cyclopropyl-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-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

Related Compounds

N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 124845821
4-(1-ethyl-5-methylpyrazol-4-yl)-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-6-(trifluoromethyl)pyrimidin-2-amine
CID 124848720
4-cyclopropyl-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-6-(trifluoromethyl)pyrimidin-2-amine
CID 100612869
N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 119055902
4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine
CID 171131222
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide
CID 171130978
N-cyclopentyl-4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821356
N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 124854341
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-1-methylsulfonylpiperidine-4-carboxamide
CID 171130965
N-[(E)-(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 119056177
4-(1,3-dimethylpyrazol-4-yl)-N-[(E)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]-6-(trifluoromethyl)pyrimidin-2-amine
CID 119056186
4-chloro-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 171131005

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-cyclopropyl-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-6-(trifluoromethyl)pyrimidin-2-amine (CID 124849340) is 4-cyclopropyl-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-cyclopropyl-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-6-(trifluoromethyl)pyrimidin-2-amine is Cc1nn(C)c(F)c1/C=N\Nc1nc(C2CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-cyclopropyl-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is OMRVQPCFVHYPGY-SWNXQHNESA-N. The full InChI is InChI=1S/C14H14F4N6/c1-7-9(12(15)24(2)23-7)6-19-22-13-20-10(8-3-4-8)5-11(21-13)14(16,17)18/h5-6,8H,3-4H2,1-2H3,(H,20,21,22)/b19-6-.
What are the key properties of 4-cyclopropyl-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-6-(trifluoromethyl)pyrimidin-2-amine?
4-cyclopropyl-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 342.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 124849340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).