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

C11H15F3N4O — CID 46835573

IUPAC2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESNCC(c1cnc(C(F)(F)F)nc1)N1CCOCC1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)10-16-6-8(7-17-10)9(5-15)18-1-3-19-4-2-18/h6-7,9H,1-5,15H2
InChIKeyANPTUIJETQUQQQ-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.83
Rot. Bonds3

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

2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (PubChem CID 46835573) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
PubChem CID46835573
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESNCC(c1cnc(C(F)(F)F)nc1)N1CCOCC1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)10-16-6-8(7-17-10)9(5-15)18-1-3-19-4-2-18/h6-7,9H,1-5,15H2
InChIKeyANPTUIJETQUQQQ-UHFFFAOYSA-N
XLogP0.83
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (CID 46835573) is 2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is NCC(c1cnc(C(F)(F)F)nc1)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The InChIKey is ANPTUIJETQUQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)10-16-6-8(7-17-10)9(5-15)18-1-3-19-4-2-18/h6-7,9H,1-5,15H2.
What are the key properties of 2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine has a molecular weight of 276.26 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 46835573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).