N-(2,2,2-trifluoroethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]methanimine

C8H5F6N3 — CID 157022428

IUPACN-(2,2,2-trifluoroethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]methanimine
SMILESFC(F)(F)C/N=C/c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C8H5F6N3/c9-7(10,11)4-15-1-5-2-16-6(17-3-5)8(12,13)14/h1-3H,4H2/b15-1+
InChIKeySKSLJLNJLJDDHK-JPCFUAGBSA-N
MW257.14 g/mol
LogP2.48
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]methanimine

N-(2,2,2-trifluoroethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]methanimine (PubChem CID 157022428) has the molecular formula C8H5F6N3 and a molecular weight of 257.14 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]methanimine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]methanimine
PubChem CID157022428
Molecular FormulaC8H5F6N3
Molecular Weight257.14 g/mol
Exact Mass257.04
IUPAC NameN-(2,2,2-trifluoroethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]methanimine
SMILESFC(F)(F)C/N=C/c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C8H5F6N3/c9-7(10,11)4-15-1-5-2-16-6(17-3-5)8(12,13)14/h1-3H,4H2/b15-1+
InChIKeySKSLJLNJLJDDHK-JPCFUAGBSA-N
XLogP2.48
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.14
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,2,2-trifluoroethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]methanimine 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-Amino-2-methyl-5-pyrimidinemethanamine
CID 66762
2,5-Dimethylpyrimidin-4-Amine
CID 445779
5-Fluoropyrimidine
CID 69605
2-Chloro-5-(trifluoromethyl)pyrimidine
CID 13317019
5-Methylpyrimidine
CID 74859
5-Fluoropyrimidine-2-carbonitrile
CID 44181867
5-Methylpyrimidin-4-amine
CID 21719209
5-Ethynylpyrimidine
CID 1475194
2-Chloro-5-methylpyrimidine
CID 581719
Aminomethylpyrimidine
CID 6946837
4-Amino-2-(heptafluoropropyl)pyrimidine-5-carbonitrile
CID 86614626
Pyrimidine, 2-chloro-4-(dimethylamino)-5-methyl-
CID 214763

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]methanimine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]methanimine (CID 157022428) is N-(2,2,2-trifluoroethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]methanimine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]methanimine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]methanimine is FC(F)(F)C/N=C/c1cnc(C(F)(F)F)nc1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]methanimine?
The InChIKey is SKSLJLNJLJDDHK-JPCFUAGBSA-N. The full InChI is InChI=1S/C8H5F6N3/c9-7(10,11)4-15-1-5-2-16-6(17-3-5)8(12,13)14/h1-3H,4H2/b15-1+.
What are the key properties of N-(2,2,2-trifluoroethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]methanimine?
N-(2,2,2-trifluoroethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]methanimine has a molecular weight of 257.14 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]methanimine is sourced from PubChem (CID 157022428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).