1-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine

C7H8F3N3 — CID 66697812

IUPAC1-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESCC(N)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C7H8F3N3/c1-4(11)5-2-12-6(13-3-5)7(8,9)10/h2-4H,11H2,1H3
InChIKeyNMFKACMVCRUBJJ-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.52
Rot. Bonds1

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

1-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (PubChem CID 66697812) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
PubChem CID66697812
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name1-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESCC(N)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C7H8F3N3/c1-4(11)5-2-12-6(13-3-5)7(8,9)10/h2-4H,11H2,1H3
InChIKeyNMFKACMVCRUBJJ-UHFFFAOYSA-N
XLogP1.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 1-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (CID 66697812) is 1-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 1-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is CC(N)c1cnc(C(F)(F)F)nc1.
What is the InChIKey of 1-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The InChIKey is NMFKACMVCRUBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c1-4(11)5-2-12-6(13-3-5)7(8,9)10/h2-4H,11H2,1H3.
What are the key properties of 1-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
1-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine has a molecular weight of 191.16 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 66697812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).