(8-bromoimidazo[1,5-a]pyrimidin-6-yl)-[2-(trifluoromethyl)phenyl]methanone

C14H7BrF3N3O — CID 122551083

IUPAC(8-bromoimidazo[1,5-a]pyrimidin-6-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)c1nc(Br)c2ncccn12
InChIInChI=1S/C14H7BrF3N3O/c15-11-13-19-6-3-7-21(13)12(20-11)10(22)8-4-1-2-5-9(8)14(16,17)18/h1-7H
InChIKeyXQAWPEUUVNLHDR-UHFFFAOYSA-N
MW370.13 g/mol
LogP3.74
Rot. Bonds2

About (8-bromoimidazo[1,5-a]pyrimidin-6-yl)-[2-(trifluoromethyl)phenyl]methanone

(8-bromoimidazo[1,5-a]pyrimidin-6-yl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 122551083) has the molecular formula C14H7BrF3N3O and a molecular weight of 370.13 g/mol. Its IUPAC name is (8-bromoimidazo[1,5-a]pyrimidin-6-yl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(8-bromoimidazo[1,5-a]pyrimidin-6-yl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID122551083
Molecular FormulaC14H7BrF3N3O
Molecular Weight370.13 g/mol
Exact Mass368.97
IUPAC Name(8-bromoimidazo[1,5-a]pyrimidin-6-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)c1nc(Br)c2ncccn12
InChIInChI=1S/C14H7BrF3N3O/c15-11-13-19-6-3-7-21(13)12(20-11)10(22)8-4-1-2-5-9(8)14(16,17)18/h1-7H
InChIKeyXQAWPEUUVNLHDR-UHFFFAOYSA-N
XLogP3.74
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.13
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Methylimidazo[1,2-a]pyridin-3-yl)(phenyl)methanone
CID 2998403
(2-Ethylimidazo[1,2-a]pyrimidin-3-yl)-phenyl-methanone
CID 455749
(7-Methylimidazo(1,2-A)pyridin-3-YL)(phenyl)methanone
CID 10911543
(4-Fluorophenyl)(imidazo(1,2-A)pyrimidin-3-YL)methanone
CID 4180984
(4-Fluorophenyl)(imidazo(1,2-A)pyridin-3-YL)methanone
CID 3639614
(6-Fluoroimidazo[1,2-a]pyridin-3-yl)(phenyl)methanone
CID 118703840
Kkbnwgnmsrchmn-uhfffaoysa-
CID 13248811
Imidazo[1,2-a]pyridin-3-yl(phenyl)methanone
CID 327852
1-(8-Phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone
CID 139373664
2-Amino-3-(2,4-difluorobenzoyl)-imidazo[1,2-a]pyridine
CID 101428861
1-(4-(5-(Trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl)phenyl)ethan-1-one
CID 139179321
6-Fluoro-14,16-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13-heptaen-8-one
CID 176436095

Frequently Asked Questions

What is the IUPAC name of (8-bromoimidazo[1,5-a]pyrimidin-6-yl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (8-bromoimidazo[1,5-a]pyrimidin-6-yl)-[2-(trifluoromethyl)phenyl]methanone (CID 122551083) is (8-bromoimidazo[1,5-a]pyrimidin-6-yl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (8-bromoimidazo[1,5-a]pyrimidin-6-yl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (8-bromoimidazo[1,5-a]pyrimidin-6-yl)-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)c1nc(Br)c2ncccn12.
What is the InChIKey of (8-bromoimidazo[1,5-a]pyrimidin-6-yl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is XQAWPEUUVNLHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF3N3O/c15-11-13-19-6-3-7-21(13)12(20-11)10(22)8-4-1-2-5-9(8)14(16,17)18/h1-7H.
What are the key properties of (8-bromoimidazo[1,5-a]pyrimidin-6-yl)-[2-(trifluoromethyl)phenyl]methanone?
(8-bromoimidazo[1,5-a]pyrimidin-6-yl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 370.13 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromoimidazo[1,5-a]pyrimidin-6-yl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 122551083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).