1-(5-bromopyrimidin-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone

C19H15BrN2O — CID 157484074

IUPAC1-(5-bromopyrimidin-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone
SMILESCc1c(CC(=O)c2ncc(Br)cn2)cccc1-c1ccccc1
InChIInChI=1S/C19H15BrN2O/c1-13-15(10-18(23)19-21-11-16(20)12-22-19)8-5-9-17(13)14-6-3-2-4-7-14/h2-9,11-12H,10H2,1H3
InChIKeyBWMQNFJWIBAACT-UHFFFAOYSA-N
MW367.25 g/mol
LogP4.64
Rot. Bonds4

About 1-(5-bromopyrimidin-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone

1-(5-bromopyrimidin-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone (PubChem CID 157484074) has the molecular formula C19H15BrN2O and a molecular weight of 367.25 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone
PubChem CID157484074
Molecular FormulaC19H15BrN2O
Molecular Weight367.25 g/mol
Exact Mass366.04
IUPAC Name1-(5-bromopyrimidin-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone
SMILESCc1c(CC(=O)c2ncc(Br)cn2)cccc1-c1ccccc1
InChIInChI=1S/C19H15BrN2O/c1-13-15(10-18(23)19-21-11-16(20)12-22-19)8-5-9-17(13)14-6-3-2-4-7-14/h2-9,11-12H,10H2,1H3
InChIKeyBWMQNFJWIBAACT-UHFFFAOYSA-N
XLogP4.64
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethenyl-1,3-thiazol-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone
CID 159450343
2-[2-(2-methyl-3-phenylphenyl)acetyl]pyridine-4-carbaldehyde
CID 162109496
3-[2-methyl-3-(4-phenylphenyl)phenyl]propanamide
CID 67666243
carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413
1-(2,2-dimethylpropyl)-2-methyl-3-phenylbenzene
CID 140963589
(2S)-1-[[4-methyl-6-[2-(2-methyl-3-phenylphenyl)acetyl]-3-pyridinyl]methyl]piperidine-2-carboxylic acid
CID 147075376
2-(2-methyl-3-phenylphenyl)-1-[1-methyl-5-(propylaminomethyl)pyrazol-3-yl]ethanone
CID 167583828
2-bromo-1-ethyl-3-phenylbenzene
CID 174683375
3-[[5-formyl-2-[2-(2-methyl-3-phenylphenyl)acetyl]-4-pyridinyl]oxymethyl]benzonitrile
CID 161048194
3-(2-methyl-3-phenylphenyl)pyridine
CID 91046767
N-hydroxy-2-methyl-3-phenylbenzamide
CID 54333518
1-ethyl-5-(4-hydroxybutyl)-3-[2-(2-methyl-3-phenylphenyl)acetyl]pyridin-2-one
CID 158868753

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone (CID 157484074) is 1-(5-bromopyrimidin-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone is Cc1c(CC(=O)c2ncc(Br)cn2)cccc1-c1ccccc1.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone?
The InChIKey is BWMQNFJWIBAACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O/c1-13-15(10-18(23)19-21-11-16(20)12-22-19)8-5-9-17(13)14-6-3-2-4-7-14/h2-9,11-12H,10H2,1H3.
What are the key properties of 1-(5-bromopyrimidin-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone?
1-(5-bromopyrimidin-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone has a molecular weight of 367.25 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone is sourced from PubChem (CID 157484074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).