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

C9H9F6N3O — CID 106773688

IUPACN-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(OCC(F)(F)F)nc(C(F)(F)F)n1
InChIInChI=1S/C9H9F6N3O/c1-2-16-5-3-6(19-4-8(10,11)12)18-7(17-5)9(13,14)15/h3H,2,4H2,1H3,(H,16,17,18)
InChIKeyRQELAXOJIJGEQL-UHFFFAOYSA-N
MW289.18 g/mol
LogP2.87
Rot. Bonds4

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

N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106773688) has the molecular formula C9H9F6N3O and a molecular weight of 289.18 g/mol. Its IUPAC name is N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106773688
Molecular FormulaC9H9F6N3O
Molecular Weight289.18 g/mol
Exact Mass289.06
IUPAC NameN-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(OCC(F)(F)F)nc(C(F)(F)F)n1
InChIInChI=1S/C9H9F6N3O/c1-2-16-5-3-6(19-4-8(10,11)12)18-7(17-5)9(13,14)15/h3H,2,4H2,1H3,(H,16,17,18)
InChIKeyRQELAXOJIJGEQL-UHFFFAOYSA-N
XLogP2.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-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,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80942434
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773628
N-ethyl-6-prop-2-ynoxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773598
2-tert-butyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
CID 80956887
[2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine
CID 80969768
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
CID 80965456
6-cyclobutyloxy-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774446
N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774661
4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773403
N-ethyl-6-(oxolan-3-yloxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774573
6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770433
6-[3-(dimethylamino)propoxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774344

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106773688) is N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine is CCNc1cc(OCC(F)(F)F)nc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is RQELAXOJIJGEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6N3O/c1-2-16-5-3-6(19-4-8(10,11)12)18-7(17-5)9(13,14)15/h3H,2,4H2,1H3,(H,16,17,18).
What are the key properties of N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 289.18 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106773688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).