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

C12H17F3N4O — CID 58228035

IUPAC2-(2-methylmorpholin-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESCC1CN(C(CN)c2cnc(C(F)(F)F)nc2)CCO1
InChIInChI=1S/C12H17F3N4O/c1-8-7-19(2-3-20-8)10(4-16)9-5-17-11(18-6-9)12(13,14)15/h5-6,8,10H,2-4,7,16H2,1H3
InChIKeyUMVNMRNGQXJUFN-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.22
Rot. Bonds3

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

2-(2-methylmorpholin-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (PubChem CID 58228035) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-(2-methylmorpholin-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-(2-methylmorpholin-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
PubChem CID58228035
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2-(2-methylmorpholin-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESCC1CN(C(CN)c2cnc(C(F)(F)F)nc2)CCO1
InChIInChI=1S/C12H17F3N4O/c1-8-7-19(2-3-20-8)10(4-16)9-5-17-11(18-6-9)12(13,14)15/h5-6,8,10H,2-4,7,16H2,1H3
InChIKeyUMVNMRNGQXJUFN-UHFFFAOYSA-N
XLogP1.22
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylmorpholin-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-(2-methylmorpholin-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (CID 58228035) is 2-(2-methylmorpholin-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-(2-methylmorpholin-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-(2-methylmorpholin-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is CC1CN(C(CN)c2cnc(C(F)(F)F)nc2)CCO1.
What is the InChIKey of 2-(2-methylmorpholin-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The InChIKey is UMVNMRNGQXJUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-8-7-19(2-3-20-8)10(4-16)9-5-17-11(18-6-9)12(13,14)15/h5-6,8,10H,2-4,7,16H2,1H3.
What are the key properties of 2-(2-methylmorpholin-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
2-(2-methylmorpholin-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine has a molecular weight of 290.29 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylmorpholin-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 58228035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).