N-ethyl-4-(2-iodophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine

C13H11F3IN3O — CID 114566398

IUPACN-ethyl-4-(2-iodophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(Oc2ccccc2I)cc(C(F)(F)F)n1
InChIInChI=1S/C13H11F3IN3O/c1-2-18-12-19-10(13(14,15)16)7-11(20-12)21-9-6-4-3-5-8(9)17/h3-7H,2H2,1H3,(H,18,19,20)
InChIKeyQOCNKXAVSRZJLE-UHFFFAOYSA-N
MW409.15 g/mol
LogP4.32
Rot. Bonds4

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

N-ethyl-4-(2-iodophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566398) has the molecular formula C13H11F3IN3O and a molecular weight of 409.15 g/mol. Its IUPAC name is N-ethyl-4-(2-iodophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-iodophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566398
Molecular FormulaC13H11F3IN3O
Molecular Weight409.15 g/mol
Exact Mass408.99
IUPAC NameN-ethyl-4-(2-iodophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(Oc2ccccc2I)cc(C(F)(F)F)n1
InChIInChI=1S/C13H11F3IN3O/c1-2-18-12-19-10(13(14,15)16)7-11(20-12)21-9-6-4-3-5-8(9)17/h3-7H,2H2,1H3,(H,18,19,20)
InChIKeyQOCNKXAVSRZJLE-UHFFFAOYSA-N
XLogP4.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.15
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-4-(2-iodophenoxy)-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

4-(2-ethylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566390
[4-(2-ethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567761
N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566566
2-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxyethanol
CID 114566256
4-[(E)-but-2-enoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566455
N-ethyl-4-(2-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80874891
N-ethyl-4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563258
4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 102741368
4-chloro-6-(2-iodophenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766742
[6-(2-iodophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721282
4-(2,4-difluorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566298
N-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821862

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-iodophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(2-iodophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566398) is N-ethyl-4-(2-iodophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(2-iodophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(2-iodophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(Oc2ccccc2I)cc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-4-(2-iodophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is QOCNKXAVSRZJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3IN3O/c1-2-18-12-19-10(13(14,15)16)7-11(20-12)21-9-6-4-3-5-8(9)17/h3-7H,2H2,1H3,(H,18,19,20).
What are the key properties of N-ethyl-4-(2-iodophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
N-ethyl-4-(2-iodophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 409.15 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-iodophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).