2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine

C17H18F3N7O — CID 139358058

IUPAC2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine
SMILESNCCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CCO1
InChIInChI=1S/C17H18F3N7O/c18-17(19,20)13-10-27-12(7-24-15(27)8-23-13)16-22-4-2-14(25-16)26-5-6-28-11(9-26)1-3-21/h2,4,7-8,10-11H,1,3,5-6,9,21H2
InChIKeyPODFHAZAKNKUIW-UHFFFAOYSA-N
MW393.37 g/mol
LogP1.76
Rot. Bonds4

About 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine

2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine (PubChem CID 139358058) has the molecular formula C17H18F3N7O and a molecular weight of 393.37 g/mol. Its IUPAC name is 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine
PubChem CID139358058
Molecular FormulaC17H18F3N7O
Molecular Weight393.37 g/mol
Exact Mass393.15
IUPAC Name2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine
SMILESNCCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CCO1
InChIInChI=1S/C17H18F3N7O/c18-17(19,20)13-10-27-12(7-24-15(27)8-23-13)16-22-4-2-14(25-16)26-5-6-28-11(9-26)1-3-21/h2,4,7-8,10-11H,1,3,5-6,9,21H2
InChIKeyPODFHAZAKNKUIW-UHFFFAOYSA-N
XLogP1.76
TPSA94.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine?
The IUPAC name of 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine (CID 139358058) is 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine?
The canonical SMILES for 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine is NCCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CCO1.
What is the InChIKey of 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine?
The InChIKey is PODFHAZAKNKUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N7O/c18-17(19,20)13-10-27-12(7-24-15(27)8-23-13)16-22-4-2-14(25-16)26-5-6-28-11(9-26)1-3-21/h2,4,7-8,10-11H,1,3,5-6,9,21H2.
What are the key properties of 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine?
2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine has a molecular weight of 393.37 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 139358058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).