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

C18H19F3N6O2 — CID 139358870

IUPAC2-(methoxymethyl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
SMILESCOCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C)O1
InChIInChI=1S/C18H19F3N6O2/c1-11-7-26(8-12(29-11)10-28-2)15-3-4-22-17(25-15)13-5-24-16-6-23-14(9-27(13)16)18(19,20)21/h3-6,9,11-12H,7-8,10H2,1-2H3
InChIKeyUNEXIXCDDPFOCV-UHFFFAOYSA-N
MW408.38 g/mol
LogP2.45
Rot. Bonds4

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

2-(methoxymethyl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine (PubChem CID 139358870) has the molecular formula C18H19F3N6O2 and a molecular weight of 408.38 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name2-(methoxymethyl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
PubChem CID139358870
Molecular FormulaC18H19F3N6O2
Molecular Weight408.38 g/mol
Exact Mass408.15
IUPAC Name2-(methoxymethyl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
SMILESCOCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C)O1
InChIInChI=1S/C18H19F3N6O2/c1-11-7-26(8-12(29-11)10-28-2)15-3-4-22-17(25-15)13-5-24-16-6-23-14(9-27(13)16)18(19,20)21/h3-6,9,11-12H,7-8,10H2,1-2H3
InChIKeyUNEXIXCDDPFOCV-UHFFFAOYSA-N
XLogP2.45
TPSA77.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopropyl-9-(2-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
CID 10409040
8-[4-(2-Fluoroethyl)piperazin-1-yl]-2-methyl-9-(oxan-4-yl)purine
CID 123456780
(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
(6S)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine
CID 124191347
1-[4-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 139357652
1-[4-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 139357653
(E)-3-imino-2-[6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]prop-1-en-1-amine
CID 139357654
[(2R)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine
CID 139357655
(E)-2-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine
CID 139357665
4-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 139357704
1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol
CID 139357705
1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 139357728

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 2-(methoxymethyl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine (CID 139358870) is 2-(methoxymethyl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 2-(methoxymethyl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 2-(methoxymethyl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine is COCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C)O1.
What is the InChIKey of 2-(methoxymethyl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?
The InChIKey is UNEXIXCDDPFOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O2/c1-11-7-26(8-12(29-11)10-28-2)15-3-4-22-17(25-15)13-5-24-16-6-23-14(9-27(13)16)18(19,20)21/h3-6,9,11-12H,7-8,10H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?
2-(methoxymethyl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine has a molecular weight of 408.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 139358870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).