imidazo[1,2-a]pyrimidin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone

C12H11F3N4O2 — CID 56861906

IUPACimidazo[1,2-a]pyrimidin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESO=C(c1cn2cccnc2n1)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C12H11F3N4O2/c13-12(14,15)9-7-18(4-5-21-9)10(20)8-6-19-3-1-2-16-11(19)17-8/h1-3,6,9H,4-5,7H2
InChIKeyBZBBRZDFELXWID-UHFFFAOYSA-N
MW300.24 g/mol
LogP1.13
Rot. Bonds1

About imidazo[1,2-a]pyrimidin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone

imidazo[1,2-a]pyrimidin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 56861906) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is imidazo[1,2-a]pyrimidin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyrimidin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID56861906
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Nameimidazo[1,2-a]pyrimidin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESO=C(c1cn2cccnc2n1)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C12H11F3N4O2/c13-12(14,15)9-7-18(4-5-21-9)10(20)8-6-19-3-1-2-16-11(19)17-8/h1-3,6,9H,4-5,7H2
InChIKeyBZBBRZDFELXWID-UHFFFAOYSA-N
XLogP1.13
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

US11142526, Example 141
CID 137533034
1,3-Dimethyl-pyrimido[2,1-f]purinedione
CID 14380925
4-{6-[4-(Morpholine-4-carbonyl)-1H-imidazol-1-YL]pyrimidin-4-YL}morpholine
CID 53172089
[(2S)-2,4-dimethylpiperazin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 97094229
N-(trifluoromethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 123895627
Methyl 3-[imidazo[1,2-a]pyrimidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 51103030
(6-Chloroimidazo[1,2-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
CID 56873374
N-Ethyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-A]pyrimidine-2-carboxamide
CID 74236506
[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]-morpholin-4-ylmethanone
CID 97390967
[(4aR,7aS)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(5-methylpyrazin-2-yl)methanone
CID 97510724
(3-((5-Fluoropyrimidin-2-yl)oxy)pyrrolidin-1-yl)(pyrazin-2-yl)methanone
CID 119100402
[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129355597

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyrimidin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of imidazo[1,2-a]pyrimidin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone (CID 56861906) is imidazo[1,2-a]pyrimidin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for imidazo[1,2-a]pyrimidin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for imidazo[1,2-a]pyrimidin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone is O=C(c1cn2cccnc2n1)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of imidazo[1,2-a]pyrimidin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is BZBBRZDFELXWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c13-12(14,15)9-7-18(4-5-21-9)10(20)8-6-19-3-1-2-16-11(19)17-8/h1-3,6,9H,4-5,7H2.
What are the key properties of imidazo[1,2-a]pyrimidin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone?
imidazo[1,2-a]pyrimidin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 300.24 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyrimidin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 56861906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).