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

C12H16F3N3O — CID 129409499

IUPAC(2R)-2-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESNC[C@@H](c1cnc(C(F)(F)F)nc1)C1CCOCC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)11-17-6-9(7-18-11)10(5-16)8-1-3-19-4-2-8/h6-8,10H,1-5,16H2/t10-/m1/s1
InChIKeyMGRXNRVNAZHEBN-SNVBAGLBSA-N
MW275.27 g/mol
LogP1.96
Rot. Bonds3

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

(2R)-2-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (PubChem CID 129409499) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is (2R)-2-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name(2R)-2-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
PubChem CID129409499
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name(2R)-2-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESNC[C@@H](c1cnc(C(F)(F)F)nc1)C1CCOCC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)11-17-6-9(7-18-11)10(5-16)8-1-3-19-4-2-8/h6-8,10H,1-5,16H2/t10-/m1/s1
InChIKeyMGRXNRVNAZHEBN-SNVBAGLBSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of (2R)-2-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (CID 129409499) is (2R)-2-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for (2R)-2-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for (2R)-2-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is NC[C@@H](c1cnc(C(F)(F)F)nc1)C1CCOCC1.
What is the InChIKey of (2R)-2-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The InChIKey is MGRXNRVNAZHEBN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)11-17-6-9(7-18-11)10(5-16)8-1-3-19-4-2-8/h6-8,10H,1-5,16H2/t10-/m1/s1.
What are the key properties of (2R)-2-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
(2R)-2-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine has a molecular weight of 275.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 129409499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).