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

C11H15F3N4O — CID 97133102

IUPAC2-[(2S)-4-[2-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]ethanamine
SMILESNCC[C@H]1CN(c2ccnc(C(F)(F)F)n2)CCO1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)10-16-4-2-9(17-10)18-5-6-19-8(7-18)1-3-15/h2,4,8H,1,3,5-7,15H2/t8-/m0/s1
InChIKeyZJSBGGIXWYWBMF-QMMMGPOBSA-N
MW276.26 g/mol
LogP1.05
Rot. Bonds3

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

2-[(2S)-4-[2-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]ethanamine (PubChem CID 97133102) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[(2S)-4-[2-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2S)-4-[2-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]ethanamine
PubChem CID97133102
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name2-[(2S)-4-[2-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]ethanamine
SMILESNCC[C@H]1CN(c2ccnc(C(F)(F)F)n2)CCO1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)10-16-4-2-9(17-10)18-5-6-19-8(7-18)1-3-15/h2,4,8H,1,3,5-7,15H2/t8-/m0/s1
InChIKeyZJSBGGIXWYWBMF-QMMMGPOBSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Hydrazinylpyrimidin-4-yl)morpholine
CID 46779831
4-(2-Chloropyrimidin-4-yl)morpholine
CID 1714697
N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 61253199
5-Fluoro-2-(morpholin-4-yl)pyrimidin-4-amine
CID 756382
5-fluoro-N-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 3121396
2-(4-Methoxypiperidin-1-yl)pyrimidin-4-amine
CID 90176595
2-(methylthio)-N-(2-morpholinylmethyl)-4-pyrimidinamine
CID 45228366
N~4~-ethyl-N~2~-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine
CID 50969566
N-[(4-ethylmorpholin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 53592753
4-(6-Morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine
CID 56880198
N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
CID 71981393
2-[3-(2-Piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 75432350

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[2-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]ethanamine?
The IUPAC name of 2-[(2S)-4-[2-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]ethanamine (CID 97133102) is 2-[(2S)-4-[2-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]ethanamine.
What is the SMILES notation for 2-[(2S)-4-[2-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]ethanamine?
The canonical SMILES for 2-[(2S)-4-[2-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]ethanamine is NCC[C@H]1CN(c2ccnc(C(F)(F)F)n2)CCO1.
What is the InChIKey of 2-[(2S)-4-[2-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]ethanamine?
The InChIKey is ZJSBGGIXWYWBMF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)10-16-4-2-9(17-10)18-5-6-19-8(7-18)1-3-15/h2,4,8H,1,3,5-7,15H2/t8-/m0/s1.
What are the key properties of 2-[(2S)-4-[2-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]ethanamine?
2-[(2S)-4-[2-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]ethanamine has a molecular weight of 276.26 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[2-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 97133102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).