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

C16H16F3N7O — CID 139359736

IUPAC[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine
SMILESNCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CCO1
InChIInChI=1S/C16H16F3N7O/c17-16(18,19)12-9-26-11(6-23-14(26)7-22-12)15-21-2-1-13(24-15)25-3-4-27-10(5-20)8-25/h1-2,6-7,9-10H,3-5,8,20H2
InChIKeyGGSUINUNUVADNW-UHFFFAOYSA-N
MW379.35 g/mol
LogP1.37
Rot. Bonds3

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

[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine (PubChem CID 139359736) has the molecular formula C16H16F3N7O and a molecular weight of 379.35 g/mol. Its IUPAC name is [4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine
PubChem CID139359736
Molecular FormulaC16H16F3N7O
Molecular Weight379.35 g/mol
Exact Mass379.14
IUPAC Name[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine
SMILESNCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CCO1
InChIInChI=1S/C16H16F3N7O/c17-16(18,19)12-9-26-11(6-23-14(26)7-22-12)15-21-2-1-13(24-15)25-3-4-27-10(5-20)8-25/h1-2,6-7,9-10H,3-5,8,20H2
InChIKeyGGSUINUNUVADNW-UHFFFAOYSA-N
XLogP1.37
TPSA94.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine (CID 139359736) is [4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine is NCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CCO1.
What is the InChIKey of [4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine?
The InChIKey is GGSUINUNUVADNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7O/c17-16(18,19)12-9-26-11(6-23-14(26)7-22-12)15-21-2-1-13(24-15)25-3-4-27-10(5-20)8-25/h1-2,6-7,9-10H,3-5,8,20H2.
What are the key properties of [4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine?
[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine has a molecular weight of 379.35 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine is sourced from PubChem (CID 139359736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).