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

C13H11F4N3O — CID 1483248

IUPACN-ethyl-4-(4-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(Oc2ccc(F)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H11F4N3O/c1-2-18-12-19-10(13(15,16)17)7-11(20-12)21-9-5-3-8(14)4-6-9/h3-7H,2H2,1H3,(H,18,19,20)
InChIKeyLUNPXWMWSAVMIQ-UHFFFAOYSA-N
MW301.24 g/mol
LogP3.86
Rot. Bonds4

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

N-ethyl-4-(4-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 1483248) has the molecular formula C13H11F4N3O and a molecular weight of 301.24 g/mol. Its IUPAC name is N-ethyl-4-(4-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID1483248
Molecular FormulaC13H11F4N3O
Molecular Weight301.24 g/mol
Exact Mass301.08
IUPAC NameN-ethyl-4-(4-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(Oc2ccc(F)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H11F4N3O/c1-2-18-12-19-10(13(15,16)17)7-11(20-12)21-9-5-3-8(14)4-6-9/h3-7H,2H2,1H3,(H,18,19,20)
InChIKeyLUNPXWMWSAVMIQ-UHFFFAOYSA-N
XLogP3.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(4-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine (CID 1483248) is N-ethyl-4-(4-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(4-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(4-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(Oc2ccc(F)cc2)cc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-4-(4-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is LUNPXWMWSAVMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N3O/c1-2-18-12-19-10(13(15,16)17)7-11(20-12)21-9-5-3-8(14)4-6-9/h3-7H,2H2,1H3,(H,18,19,20).
What are the key properties of N-ethyl-4-(4-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
N-ethyl-4-(4-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 301.24 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 1483248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).