1-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]ethanamine

C8H10F3N3O — CID 58629018

IUPAC1-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]ethanamine
SMILESCC(N)c1cnc(OCC(F)(F)F)nc1
InChIInChI=1S/C8H10F3N3O/c1-5(12)6-2-13-7(14-3-6)15-4-8(9,10)11/h2-3,5H,4,12H2,1H3
InChIKeyRSKGZNCXSFSTRV-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.44
Rot. Bonds3

About 1-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]ethanamine

1-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]ethanamine (PubChem CID 58629018) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]ethanamine
PubChem CID58629018
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]ethanamine
SMILESCC(N)c1cnc(OCC(F)(F)F)nc1
InChIInChI=1S/C8H10F3N3O/c1-5(12)6-2-13-7(14-3-6)15-4-8(9,10)11/h2-3,5H,4,12H2,1H3
InChIKeyRSKGZNCXSFSTRV-UHFFFAOYSA-N
XLogP1.44
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]ethanamine?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]ethanamine (CID 58629018) is 1-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]ethanamine is CC(N)c1cnc(OCC(F)(F)F)nc1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]ethanamine?
The InChIKey is RSKGZNCXSFSTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-5(12)6-2-13-7(14-3-6)15-4-8(9,10)11/h2-3,5H,4,12H2,1H3.
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]ethanamine?
1-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]ethanamine has a molecular weight of 221.18 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 58629018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).