1-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine

C12H16F3N3O — CID 141403702

IUPAC1-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESNC(Cc1cnc(C(F)(F)F)nc1)C1CCOCC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)11-17-6-8(7-18-11)5-10(16)9-1-3-19-4-2-9/h6-7,9-10H,1-5,16H2
InChIKeyBZKYJONIJUSUOH-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.79
Rot. Bonds3

About 1-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine

1-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (PubChem CID 141403702) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name1-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
PubChem CID141403702
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name1-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESNC(Cc1cnc(C(F)(F)F)nc1)C1CCOCC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)11-17-6-8(7-18-11)5-10(16)9-1-3-19-4-2-9/h6-7,9-10H,1-5,16H2
InChIKeyBZKYJONIJUSUOH-UHFFFAOYSA-N
XLogP1.79
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 1-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (CID 141403702) is 1-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 1-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 1-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is NC(Cc1cnc(C(F)(F)F)nc1)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The InChIKey is BZKYJONIJUSUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)11-17-6-8(7-18-11)5-10(16)9-1-3-19-4-2-9/h6-7,9-10H,1-5,16H2.
What are the key properties of 1-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
1-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine has a molecular weight of 275.27 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 141403702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).