2-(5-bromo-2-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethanone

C12H10BrN3O — CID 104799331

IUPAC2-(5-bromo-2-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethanone
SMILESCc1nccc(C(=O)Cc2ccc(Br)cn2)n1
InChIInChI=1S/C12H10BrN3O/c1-8-14-5-4-11(16-8)12(17)6-10-3-2-9(13)7-15-10/h2-5,7H,6H2,1H3
InChIKeyCGXZGSYOZJQAPB-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.37
Rot. Bonds3

About 2-(5-bromo-2-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethanone

2-(5-bromo-2-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethanone (PubChem CID 104799331) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethanone
PubChem CID104799331
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethanone
SMILESCc1nccc(C(=O)Cc2ccc(Br)cn2)n1
InChIInChI=1S/C12H10BrN3O/c1-8-14-5-4-11(16-8)12(17)6-10-3-2-9(13)7-15-10/h2-5,7H,6H2,1H3
InChIKeyCGXZGSYOZJQAPB-UHFFFAOYSA-N
XLogP2.37
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-2-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Pyridine-3-carbonyl)pyrimidine
CID 10535520
2-(Pyridin-2-yl)pyrimidine-4-carbaldehyde
CID 18966373
(4-Bromo-2,6-difluoro-phenyl)-(2-chloropyrimidin-4-yl)methanone
CID 129908103
1-(2-(4-Bromo-phenyl)-2-oxo-ethyl)-4-phenyl-pyrimidin-1-ium, bromide
CID 126960577
1-[2-(4-Bromophenyl)-2-oxoethyl]-4-phenylpyrimidin-1-ium bromide
CID 12577534
Phenyl(pyrimidin-4-yl)methanone
CID 144276
4-Bromo-6-ethyl-pyridine-2-carboxylic acid (5-fluoro-pyridin-2-yl)-amide
CID 59479352
1-(3-Fluoro-2-pyridinyl)-4-pyrimidin-2-ylbutane-1,4-dione
CID 90371182
(4-Fluorophenyl)-(2-methylpyrimidin-4-yl)methanone
CID 115529854
(5-Fluoro-2-pyridinyl)-(1-methylpyrimidin-1-ium-5-yl)methanone
CID 123578464
1-[5-[(3-Fluorophenyl)methyl]-2-pyridinyl]-2-(2-methylpyrimidin-4-yl)ethanone
CID 167536601
1-(5-Bromopyrimidin-2-yl)-2-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]ethanone
CID 167596401

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethanone?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethanone (CID 104799331) is 2-(5-bromo-2-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethanone?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethanone is Cc1nccc(C(=O)Cc2ccc(Br)cn2)n1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethanone?
The InChIKey is CGXZGSYOZJQAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c1-8-14-5-4-11(16-8)12(17)6-10-3-2-9(13)7-15-10/h2-5,7H,6H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethanone?
2-(5-bromo-2-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethanone has a molecular weight of 292.14 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethanone is sourced from PubChem (CID 104799331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).