8-(4-bromo-2-fluoro-5-methylphenyl)-5-fluoro-2-methylimidazo[1,2-a]pyrimidin-7-one

C14H10BrF2N3O — CID 54192725

IUPAC8-(4-bromo-2-fluoro-5-methylphenyl)-5-fluoro-2-methylimidazo[1,2-a]pyrimidin-7-one
SMILESCc1cn2c(F)cc(=O)n(-c3cc(C)c(Br)cc3F)c2n1
InChIInChI=1S/C14H10BrF2N3O/c1-7-3-11(10(16)4-9(7)15)20-13(21)5-12(17)19-6-8(2)18-14(19)20/h3-6H,1-2H3
InChIKeyPPLZZIHNBMUAOO-UHFFFAOYSA-N
MW354.15 g/mol
LogP3.14
Rot. Bonds1

About 8-(4-bromo-2-fluoro-5-methylphenyl)-5-fluoro-2-methylimidazo[1,2-a]pyrimidin-7-one

8-(4-bromo-2-fluoro-5-methylphenyl)-5-fluoro-2-methylimidazo[1,2-a]pyrimidin-7-one (PubChem CID 54192725) has the molecular formula C14H10BrF2N3O and a molecular weight of 354.15 g/mol. Its IUPAC name is 8-(4-bromo-2-fluoro-5-methylphenyl)-5-fluoro-2-methylimidazo[1,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name8-(4-bromo-2-fluoro-5-methylphenyl)-5-fluoro-2-methylimidazo[1,2-a]pyrimidin-7-one
PubChem CID54192725
Molecular FormulaC14H10BrF2N3O
Molecular Weight354.15 g/mol
Exact Mass353.00
IUPAC Name8-(4-bromo-2-fluoro-5-methylphenyl)-5-fluoro-2-methylimidazo[1,2-a]pyrimidin-7-one
SMILESCc1cn2c(F)cc(=O)n(-c3cc(C)c(Br)cc3F)c2n1
InChIInChI=1S/C14H10BrF2N3O/c1-7-3-11(10(16)4-9(7)15)20-13(21)5-12(17)19-6-8(2)18-14(19)20/h3-6H,1-2H3
InChIKeyPPLZZIHNBMUAOO-UHFFFAOYSA-N
XLogP3.14
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(4-bromo-2-fluoro-5-methylphenyl)-6-fluoro-3-methylpyrimido[1,2-a][1,3,5]triazine-2,4,8-trione;difluoromethane
CID 56610169
8-(2,4-dichloro-5-methylphenyl)-5-fluoroimidazo[1,2-a]pyrimidin-7-one
CID 54192117
8-(4-bromo-3-methylphenyl)-5-fluoro-[1,2,4]oxadiazolo[4,3-a]pyrimidine-3,7-dione
CID 56608706
difluoromethane;1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,8-dione
CID 54169279
5-(4-bromo-2-fluoro-5-methylphenyl)-5-azaspiro[2.3]hexane
CID 130562717
7-(4-bromo-2-fluoro-5-methylphenyl)-1-methyl-5,6-dihydropyrazolo[5,4-f][1,4]oxazepin-8-one
CID 139408351
4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168659759
1-(4-bromo-2-fluoro-5-methylphenyl)-4-ethynylpyrrolidin-2-one
CID 168501058
6-(4-bromo-2-fluoro-5-methylphenyl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 139392492
8-(4-bromo-2-fluoro-5-methylphenyl)-5-fluoroimidazo[1,2-a]pyrimidine-2,3,7-trione;difluoromethane
CID 54532060
2-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one
CID 59875300
3-(4-bromo-2-fluoro-5-pyrimidin-2-yloxyphenyl)-6-methyl-1H-pyrimidine-2,4-dione
CID 142090032

Frequently Asked Questions

What is the IUPAC name of 8-(4-bromo-2-fluoro-5-methylphenyl)-5-fluoro-2-methylimidazo[1,2-a]pyrimidin-7-one?
The IUPAC name of 8-(4-bromo-2-fluoro-5-methylphenyl)-5-fluoro-2-methylimidazo[1,2-a]pyrimidin-7-one (CID 54192725) is 8-(4-bromo-2-fluoro-5-methylphenyl)-5-fluoro-2-methylimidazo[1,2-a]pyrimidin-7-one.
What is the SMILES notation for 8-(4-bromo-2-fluoro-5-methylphenyl)-5-fluoro-2-methylimidazo[1,2-a]pyrimidin-7-one?
The canonical SMILES for 8-(4-bromo-2-fluoro-5-methylphenyl)-5-fluoro-2-methylimidazo[1,2-a]pyrimidin-7-one is Cc1cn2c(F)cc(=O)n(-c3cc(C)c(Br)cc3F)c2n1.
What is the InChIKey of 8-(4-bromo-2-fluoro-5-methylphenyl)-5-fluoro-2-methylimidazo[1,2-a]pyrimidin-7-one?
The InChIKey is PPLZZIHNBMUAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2N3O/c1-7-3-11(10(16)4-9(7)15)20-13(21)5-12(17)19-6-8(2)18-14(19)20/h3-6H,1-2H3.
What are the key properties of 8-(4-bromo-2-fluoro-5-methylphenyl)-5-fluoro-2-methylimidazo[1,2-a]pyrimidin-7-one?
8-(4-bromo-2-fluoro-5-methylphenyl)-5-fluoro-2-methylimidazo[1,2-a]pyrimidin-7-one has a molecular weight of 354.15 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-bromo-2-fluoro-5-methylphenyl)-5-fluoro-2-methylimidazo[1,2-a]pyrimidin-7-one is sourced from PubChem (CID 54192725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).