4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine

C17H18F2N6O — CID 139357704

IUPAC4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine
SMILESCC1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC(C)O1
InChIInChI=1S/C17H18F2N6O/c1-10-7-24(8-11(2)26-10)14-3-4-20-17(23-14)13-5-22-15-6-21-12(16(18)19)9-25(13)15/h3-6,9-11,16H,7-8H2,1-2H3
InChIKeySMBNUPATGBMTJP-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.74
Rot. Bonds3

About 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine

4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine (PubChem CID 139357704) has the molecular formula C17H18F2N6O and a molecular weight of 360.37 g/mol. Its IUPAC name is 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine
PubChem CID139357704
Molecular FormulaC17H18F2N6O
Molecular Weight360.37 g/mol
Exact Mass360.15
IUPAC Name4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine
SMILESCC1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC(C)O1
InChIInChI=1S/C17H18F2N6O/c1-10-7-24(8-11(2)26-10)14-3-4-20-17(23-14)13-5-22-15-6-21-12(16(18)19)9-25(13)15/h3-6,9-11,16H,7-8H2,1-2H3
InChIKeySMBNUPATGBMTJP-UHFFFAOYSA-N
XLogP2.74
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
4-[7-(Trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]morpholine
CID 134848884
4-Imidazo[1,2-a]pyrimidin-3-ylmorpholine
CID 3757823
N-cyclopropyl-9-(2-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
CID 10409040
2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 46175368
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-{6-[(3S)-3-Methylmorpholin-4-yl]-9-(2,2,2-trifluoroethyl)-9H-purin-2-yl}pyrimidin-2-amine
CID 59333646
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
8-[4-(2-Fluoroethyl)piperazin-1-yl]-2-methyl-9-(oxan-4-yl)purine
CID 123456780

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine (CID 139357704) is 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine is CC1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC(C)O1.
What is the InChIKey of 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine?
The InChIKey is SMBNUPATGBMTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N6O/c1-10-7-24(8-11(2)26-10)14-3-4-20-17(23-14)13-5-22-15-6-21-12(16(18)19)9-25(13)15/h3-6,9-11,16H,7-8H2,1-2H3.
What are the key properties of 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine?
4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine has a molecular weight of 360.37 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 139357704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).