N-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-amine

C8H7F6N3O — CID 114566189

IUPACN-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(OCC(F)(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C8H7F6N3O/c1-15-6-16-4(8(12,13)14)2-5(17-6)18-3-7(9,10)11/h2H,3H2,1H3,(H,15,16,17)
InChIKeyLOUKLUUJEALFHK-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.48
Rot. Bonds3

About N-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-amine

N-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566189) has the molecular formula C8H7F6N3O and a molecular weight of 275.15 g/mol. Its IUPAC name is N-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566189
Molecular FormulaC8H7F6N3O
Molecular Weight275.15 g/mol
Exact Mass275.05
IUPAC NameN-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(OCC(F)(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C8H7F6N3O/c1-15-6-16-4(8(12,13)14)2-5(17-6)18-3-7(9,10)11/h2H,3H2,1H3,(H,15,16,17)
InChIKeyLOUKLUUJEALFHK-UHFFFAOYSA-N
XLogP2.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethoxyethoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566199
N-methyl-4-[2-(2-methylpropoxy)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106451304
[4-(2,2,3,3,3-pentafluoropropoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567815
N-methyl-4-pentan-2-yloxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 102989343
4-(2-ethylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566390
2-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxyethanol
CID 114566256
[4-(3,3-dimethylbutoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567814
4-(2,4-difluorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566298
[4-(2,2-difluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567822
4-(2-methoxyethoxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566221
4-[(E)-but-2-enoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566455
N-methyl-4-(1-methylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566614

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566189) is N-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-amine is CNc1nc(OCC(F)(F)F)cc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is LOUKLUUJEALFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F6N3O/c1-15-6-16-4(8(12,13)14)2-5(17-6)18-3-7(9,10)11/h2H,3H2,1H3,(H,15,16,17).
What are the key properties of N-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
N-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 275.15 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).