N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine

C17H20F3N5O2 — CID 91641613

IUPACN-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
SMILESFC(F)(F)COc1ccc(CNCc2cnc(N3CCOCC3)nc2)cn1
InChIInChI=1S/C17H20F3N5O2/c18-17(19,20)12-27-15-2-1-13(9-22-15)7-21-8-14-10-23-16(24-11-14)25-3-5-26-6-4-25/h1-2,9-11,21H,3-8,12H2
InChIKeyZRJGVDUSGVCJSJ-UHFFFAOYSA-N
MW383.37 g/mol
LogP1.94
Rot. Bonds7

About N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine

N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine (PubChem CID 91641613) has the molecular formula C17H20F3N5O2 and a molecular weight of 383.37 g/mol. Its IUPAC name is N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
PubChem CID91641613
Molecular FormulaC17H20F3N5O2
Molecular Weight383.37 g/mol
Exact Mass383.16
IUPAC NameN-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
SMILESFC(F)(F)COc1ccc(CNCc2cnc(N3CCOCC3)nc2)cn1
InChIInChI=1S/C17H20F3N5O2/c18-17(19,20)12-27-15-2-1-13(9-22-15)7-21-8-14-10-23-16(24-11-14)25-3-5-26-6-4-25/h1-2,9-11,21H,3-8,12H2
InChIKeyZRJGVDUSGVCJSJ-UHFFFAOYSA-N
XLogP1.94
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine
CID 87011463
3-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]pentan-3-ol
CID 110909574
3-methoxy-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 102536443
(1R)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 124549015
1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-2-phenylpropan-2-ol
CID 111334317
N'-methyl-3-morpholin-4-yl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111725876
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]morpholine-4-carboxamide
CID 47041273
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111935126
2-(5-methylfuran-2-yl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-2-ol
CID 111468470
N,N,2,2-tetramethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propane-1,3-diamine
CID 87011446
3,3-dimethyl-4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]butan-1-ol
CID 111470717
1-ethyl-3-(3-morpholin-4-ylpropyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine
CID 110971489

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
The IUPAC name of N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine (CID 91641613) is N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine is FC(F)(F)COc1ccc(CNCc2cnc(N3CCOCC3)nc2)cn1.
What is the InChIKey of N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
The InChIKey is ZRJGVDUSGVCJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O2/c18-17(19,20)12-27-15-2-1-13(9-22-15)7-21-8-14-10-23-16(24-11-14)25-3-5-26-6-4-25/h1-2,9-11,21H,3-8,12H2.
What are the key properties of N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine has a molecular weight of 383.37 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 91641613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).