2-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine

C9H12F3N3O — CID 83896400

IUPAC2-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine
SMILESCCOc1cc(CCN)nc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-2-16-7-5-6(3-4-13)14-8(15-7)9(10,11)12/h5H,2-4,13H2,1H3
InChIKeyDOFIQYBFNXBKMC-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.40
Rot. Bonds4

About 2-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine

2-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine (PubChem CID 83896400) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine
PubChem CID83896400
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name2-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine
SMILESCCOc1cc(CCN)nc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-2-16-7-5-6(3-4-13)14-8(15-7)9(10,11)12/h5H,2-4,13H2,1H3
InChIKeyDOFIQYBFNXBKMC-UHFFFAOYSA-N
XLogP1.40
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine?
The IUPAC name of 2-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine (CID 83896400) is 2-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine.
What is the SMILES notation for 2-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine?
The canonical SMILES for 2-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine is CCOc1cc(CCN)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine?
The InChIKey is DOFIQYBFNXBKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-2-16-7-5-6(3-4-13)14-8(15-7)9(10,11)12/h5H,2-4,13H2,1H3.
What are the key properties of 2-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine?
2-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine has a molecular weight of 235.21 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine is sourced from PubChem (CID 83896400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).