2-bromo-N-(2-methylpyrimidin-5-yl)propanamide

C8H10BrN3O — CID 131183260

IUPAC2-bromo-N-(2-methylpyrimidin-5-yl)propanamide
SMILESCc1ncc(NC(=O)C(C)Br)cn1
InChIInChI=1S/C8H10BrN3O/c1-5(9)8(13)12-7-3-10-6(2)11-4-7/h3-5H,1-2H3,(H,12,13)
InChIKeyNAGDYKVMWXJZMG-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.51
Rot. Bonds2

About 2-bromo-N-(2-methylpyrimidin-5-yl)propanamide

2-bromo-N-(2-methylpyrimidin-5-yl)propanamide (PubChem CID 131183260) has the molecular formula C8H10BrN3O and a molecular weight of 244.09 g/mol. Its IUPAC name is 2-bromo-N-(2-methylpyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(2-methylpyrimidin-5-yl)propanamide
PubChem CID131183260
Molecular FormulaC8H10BrN3O
Molecular Weight244.09 g/mol
Exact Mass243.00
IUPAC Name2-bromo-N-(2-methylpyrimidin-5-yl)propanamide
SMILESCc1ncc(NC(=O)C(C)Br)cn1
InChIInChI=1S/C8H10BrN3O/c1-5(9)8(13)12-7-3-10-6(2)11-4-7/h3-5H,1-2H3,(H,12,13)
InChIKeyNAGDYKVMWXJZMG-UHFFFAOYSA-N
XLogP1.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-N-(2-methylpyrimidin-5-yl)propanamide 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

2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide
CID 119317714
2-amino-N-(2-methylpyrimidin-5-yl)butanamide
CID 83617934
2-bromo-N-(6-methoxy-3-pyridinyl)propanamide
CID 107902789
2-hydroxy-N-(2-methylpyrimidin-5-yl)acetamide
CID 83815969
1,1-dimethyl-3-(2-methylpyrimidin-5-yl)urea
CID 130605359
2-bromo-N-[4-(carbamoylamino)phenyl]propanamide
CID 107903880
N-(4-aminophenyl)-2-bromopropanamide
CID 57300084
(2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide
CID 6930724
2-bromo-N-(5-methoxypyrimidin-2-yl)propanamide
CID 4658979
2-bromo-N-(4-bromo-3-methylphenyl)propanamide
CID 12708491
2-bromo-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 107903873
2-bromo-N-(3-bromo-4-iodophenyl)propanamide
CID 130499859

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methylpyrimidin-5-yl)propanamide?
The IUPAC name of 2-bromo-N-(2-methylpyrimidin-5-yl)propanamide (CID 131183260) is 2-bromo-N-(2-methylpyrimidin-5-yl)propanamide.
What is the SMILES notation for 2-bromo-N-(2-methylpyrimidin-5-yl)propanamide?
The canonical SMILES for 2-bromo-N-(2-methylpyrimidin-5-yl)propanamide is Cc1ncc(NC(=O)C(C)Br)cn1.
What is the InChIKey of 2-bromo-N-(2-methylpyrimidin-5-yl)propanamide?
The InChIKey is NAGDYKVMWXJZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O/c1-5(9)8(13)12-7-3-10-6(2)11-4-7/h3-5H,1-2H3,(H,12,13).
What are the key properties of 2-bromo-N-(2-methylpyrimidin-5-yl)propanamide?
2-bromo-N-(2-methylpyrimidin-5-yl)propanamide has a molecular weight of 244.09 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methylpyrimidin-5-yl)propanamide is sourced from PubChem (CID 131183260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).