N-(5-ethyl-2-methylpyrimidin-4-yl)-N'-(2,2,2-trifluoroethyl)ethanimidamide

C11H15F3N4 — CID 23521480

IUPACN-(5-ethyl-2-methylpyrimidin-4-yl)-N'-(2,2,2-trifluoroethyl)ethanimidamide
SMILESCCc1cnc(C)nc1N/C(C)=N/CC(F)(F)F
InChIInChI=1S/C11H15F3N4/c1-4-9-5-15-7(2)17-10(9)18-8(3)16-6-11(12,13)14/h5H,4,6H2,1-3H3,(H,15,16,17,18)
InChIKeyUUQLCIPUVSRYIR-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.74
Rot. Bonds3

About N-(5-ethyl-2-methylpyrimidin-4-yl)-N'-(2,2,2-trifluoroethyl)ethanimidamide

N-(5-ethyl-2-methylpyrimidin-4-yl)-N'-(2,2,2-trifluoroethyl)ethanimidamide (PubChem CID 23521480) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is N-(5-ethyl-2-methylpyrimidin-4-yl)-N'-(2,2,2-trifluoroethyl)ethanimidamide.

Molecular Properties

Compound NameN-(5-ethyl-2-methylpyrimidin-4-yl)-N'-(2,2,2-trifluoroethyl)ethanimidamide
PubChem CID23521480
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC NameN-(5-ethyl-2-methylpyrimidin-4-yl)-N'-(2,2,2-trifluoroethyl)ethanimidamide
SMILESCCc1cnc(C)nc1N/C(C)=N/CC(F)(F)F
InChIInChI=1S/C11H15F3N4/c1-4-9-5-15-7(2)17-10(9)18-8(3)16-6-11(12,13)14/h5H,4,6H2,1-3H3,(H,15,16,17,18)
InChIKeyUUQLCIPUVSRYIR-UHFFFAOYSA-N
XLogP2.74
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-Amino-2-methyl-5-pyrimidinemethanamine
CID 66762
2,5-Dimethylpyrimidin-4-Amine
CID 445779
Aminomethylpyrimidine
CID 6946837
5-{[Ethyl(methyl)amino]methyl}-2-methyl-5,6-dihydropyrimidin-4-amine
CID 448672
5-(Propan-2-yl)pyrimidin-2-amine
CID 20823899
5-Ethylpyrimidin-2-amine
CID 23131355
2-(Pyrimidin-5-yl)ethan-1-amine
CID 27281450
2-(2-Cyclopropylpyrimidin-5-yl)ethan-1-amine
CID 62757903
2-(4,5-Dimethylpyrimidin-2-yl)ethan-1-amine
CID 83479570
5-(Azidomethyl)-2-methylpyrimidin-4-amine
CID 71372702
5-Methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 445780
N-(2-azepan-1-ylethyl)-5-ethyl-2-methylpyrimidin-4-amine
CID 50971967

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2-methylpyrimidin-4-yl)-N'-(2,2,2-trifluoroethyl)ethanimidamide?
The IUPAC name of N-(5-ethyl-2-methylpyrimidin-4-yl)-N'-(2,2,2-trifluoroethyl)ethanimidamide (CID 23521480) is N-(5-ethyl-2-methylpyrimidin-4-yl)-N'-(2,2,2-trifluoroethyl)ethanimidamide.
What is the SMILES notation for N-(5-ethyl-2-methylpyrimidin-4-yl)-N'-(2,2,2-trifluoroethyl)ethanimidamide?
The canonical SMILES for N-(5-ethyl-2-methylpyrimidin-4-yl)-N'-(2,2,2-trifluoroethyl)ethanimidamide is CCc1cnc(C)nc1N/C(C)=N/CC(F)(F)F.
What is the InChIKey of N-(5-ethyl-2-methylpyrimidin-4-yl)-N'-(2,2,2-trifluoroethyl)ethanimidamide?
The InChIKey is UUQLCIPUVSRYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-4-9-5-15-7(2)17-10(9)18-8(3)16-6-11(12,13)14/h5H,4,6H2,1-3H3,(H,15,16,17,18).
What are the key properties of N-(5-ethyl-2-methylpyrimidin-4-yl)-N'-(2,2,2-trifluoroethyl)ethanimidamide?
N-(5-ethyl-2-methylpyrimidin-4-yl)-N'-(2,2,2-trifluoroethyl)ethanimidamide has a molecular weight of 260.26 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2-methylpyrimidin-4-yl)-N'-(2,2,2-trifluoroethyl)ethanimidamide is sourced from PubChem (CID 23521480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).