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

C7H8F3N3 — CID 53403482

IUPAC2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESNCCc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C7H8F3N3/c8-7(9,10)6-12-3-5(1-2-11)4-13-6/h3-4H,1-2,11H2
InChIKeyKNMDJXZHOFLGEX-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.00
Rot. Bonds2

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

2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (PubChem CID 53403482) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
PubChem CID53403482
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESNCCc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C7H8F3N3/c8-7(9,10)6-12-3-5(1-2-11)4-13-6/h3-4H,1-2,11H2
InChIKeyKNMDJXZHOFLGEX-UHFFFAOYSA-N
XLogP1.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (CID 53403482) is 2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is NCCc1cnc(C(F)(F)F)nc1.
What is the InChIKey of 2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The InChIKey is KNMDJXZHOFLGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c8-7(9,10)6-12-3-5(1-2-11)4-13-6/h3-4H,1-2,11H2.
What are the key properties of 2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine has a molecular weight of 191.16 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 53403482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).