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

C12H10ClF3N4O2 — CID 56873374

IUPAC(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESO=C(c1cn2cc(Cl)cnc2n1)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C12H10ClF3N4O2/c13-7-3-17-11-18-8(5-20(11)4-7)10(21)19-1-2-22-9(6-19)12(14,15)16/h3-5,9H,1-2,6H2
InChIKeyJMYCTZULEKJQHI-UHFFFAOYSA-N
MW334.69 g/mol
LogP1.79
Rot. Bonds1

About (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone

(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 56873374) has the molecular formula C12H10ClF3N4O2 and a molecular weight of 334.69 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID56873374
Molecular FormulaC12H10ClF3N4O2
Molecular Weight334.69 g/mol
Exact Mass334.04
IUPAC Name(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESO=C(c1cn2cc(Cl)cnc2n1)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C12H10ClF3N4O2/c13-7-3-17-11-18-8(5-20(11)4-7)10(21)19-1-2-22-9(6-19)12(14,15)16/h3-5,9H,1-2,6H2
InChIKeyJMYCTZULEKJQHI-UHFFFAOYSA-N
XLogP1.79
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.69
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[2-(Trifluoromethyl)morpholin-4-yl]carbonyl}imidazo[1,2-a]pyrimidine
CID 56861906
[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
[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129355598
N-(2,2-difluoroethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 138017234
1-[(6-Chloroimidazo[1,2-a]pyrimidin-2-yl)carbonyl]-3-[(dimethylamino)methyl]-3-piperidinol
CID 56892458
6-Chloro-2-{[3-(1-pyrrolidinyl)-1-piperidinyl]carbonyl}imidazo[1,2-a]pyrimidine
CID 56899544
(5,7-Dichloroimidazo[1,2-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
CID 155686450
7-Chloro-5-morpholin-4-ylimidazo[1,2-a]pyrimidine-2-carbaldehyde;methoxyethane
CID 166155965
[4-(2,6-Dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 45914316

Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone (CID 56873374) is (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone is O=C(c1cn2cc(Cl)cnc2n1)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is JMYCTZULEKJQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N4O2/c13-7-3-17-11-18-8(5-20(11)4-7)10(21)19-1-2-22-9(6-19)12(14,15)16/h3-5,9H,1-2,6H2.
What are the key properties of (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone?
(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 334.69 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 56873374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).