2-(5-methyl-4H-imidazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine

C19H17F3N8O — CID 158254945

IUPAC2-(5-methyl-4H-imidazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
SMILESCC1=NC(C2CN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)CCO2)=NC1
InChIInChI=1S/C19H17F3N8O/c1-11-6-26-18(27-11)13-9-29(4-5-31-13)15-2-3-23-17(28-15)12-7-25-16-8-24-14(10-30(12)16)19(20,21)22/h2-3,7-8,10,13H,4-6,9H2,1H3
InChIKeyHXHGXLIFNMPGEC-UHFFFAOYSA-N
MW430.39 g/mol
LogP2.28
Rot. Bonds3

About 2-(5-methyl-4H-imidazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine

2-(5-methyl-4H-imidazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine (PubChem CID 158254945) has the molecular formula C19H17F3N8O and a molecular weight of 430.39 g/mol. Its IUPAC name is 2-(5-methyl-4H-imidazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name2-(5-methyl-4H-imidazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
PubChem CID158254945
Molecular FormulaC19H17F3N8O
Molecular Weight430.39 g/mol
Exact Mass430.15
IUPAC Name2-(5-methyl-4H-imidazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
SMILESCC1=NC(C2CN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)CCO2)=NC1
InChIInChI=1S/C19H17F3N8O/c1-11-6-26-18(27-11)13-9-29(4-5-31-13)15-2-3-23-17(28-15)12-7-25-16-8-24-14(10-30(12)16)19(20,21)22/h2-3,7-8,10,13H,4-6,9H2,1H3
InChIKeyHXHGXLIFNMPGEC-UHFFFAOYSA-N
XLogP2.28
TPSA93.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-(4-{4-[2-(2,4-Dimethyl-imidazol-1-yl)-pyrimidin-4-yl]-2,6-dimethyl-piperazin-1-yl}-pyrimidin-2-yl)-ethanol
CID 10136152
1-(4-{2,6-Dimethyl-4-[2-(4-methyl-imidazol-1-yl)-pyrimidin-4-yl]-piperazin-1-yl}-pyrimidin-2-yl)-ethanol
CID 10157477
US10131675, Example 76
CID 122536051
N-cyclopropyl-9-(2-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
CID 10409040
3-[[4-(Pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 52938508
3-[(4-Pyrimidin-2-ylmorpholin-2-yl)methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 52938636
5-[(6R)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 57386399
5-[(6S)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 57386400
5-[4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 68074765
5-[8-Methyl-6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]pyrimidin-2-amine
CID 68081276
2-(2-Chloro-9-ethylpurin-8-yl)-4-[[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]methyl]morpholine
CID 123406133
(6R)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine
CID 124191199

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-4H-imidazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 2-(5-methyl-4H-imidazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine (CID 158254945) is 2-(5-methyl-4H-imidazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 2-(5-methyl-4H-imidazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 2-(5-methyl-4H-imidazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine is CC1=NC(C2CN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)CCO2)=NC1.
What is the InChIKey of 2-(5-methyl-4H-imidazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?
The InChIKey is HXHGXLIFNMPGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N8O/c1-11-6-26-18(27-11)13-9-29(4-5-31-13)15-2-3-23-17(28-15)12-7-25-16-8-24-14(10-30(12)16)19(20,21)22/h2-3,7-8,10,13H,4-6,9H2,1H3.
What are the key properties of 2-(5-methyl-4H-imidazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?
2-(5-methyl-4H-imidazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine has a molecular weight of 430.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-4H-imidazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 158254945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).