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

C17H17F3N6O — CID 139358674

IUPAC3,3-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
SMILESCC1(C)COCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1
InChIInChI=1S/C17H17F3N6O/c1-16(2)10-27-6-5-26(16)13-3-4-21-15(24-13)11-7-23-14-8-22-12(9-25(11)14)17(18,19)20/h3-4,7-9H,5-6,10H2,1-2H3
InChIKeyYNGXENUWRZSZPB-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.82
Rot. Bonds2

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

3,3-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine (PubChem CID 139358674) has the molecular formula C17H17F3N6O and a molecular weight of 378.36 g/mol. Its IUPAC name is 3,3-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name3,3-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
PubChem CID139358674
Molecular FormulaC17H17F3N6O
Molecular Weight378.36 g/mol
Exact Mass378.14
IUPAC Name3,3-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
SMILESCC1(C)COCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1
InChIInChI=1S/C17H17F3N6O/c1-16(2)10-27-6-5-26(16)13-3-4-21-15(24-13)11-7-23-14-8-22-12(9-25(11)14)17(18,19)20/h3-4,7-9H,5-6,10H2,1-2H3
InChIKeyYNGXENUWRZSZPB-UHFFFAOYSA-N
XLogP2.82
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 3,3-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine (CID 139358674) is 3,3-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 3,3-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 3,3-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine is CC1(C)COCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.
What is the InChIKey of 3,3-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?
The InChIKey is YNGXENUWRZSZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O/c1-16(2)10-27-6-5-26(16)13-3-4-21-15(24-13)11-7-23-14-8-22-12(9-25(11)14)17(18,19)20/h3-4,7-9H,5-6,10H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?
3,3-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine has a molecular weight of 378.36 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 139358674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).