N-(5-bromo-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide

C7H8BrN3O2 — CID 135794131

IUPACN-(5-bromo-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc(C)c(Br)c(=O)[nH]1
InChIInChI=1S/C7H8BrN3O2/c1-3-5(8)6(13)11-7(9-3)10-4(2)12/h1-2H3,(H2,9,10,11,12,13)
InChIKeyBUYVFMVZVMKHOT-UHFFFAOYSA-N
MW246.06 g/mol
LogP0.80
Rot. Bonds1

About N-(5-bromo-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide

N-(5-bromo-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide (PubChem CID 135794131) has the molecular formula C7H8BrN3O2 and a molecular weight of 246.06 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide
PubChem CID135794131
Molecular FormulaC7H8BrN3O2
Molecular Weight246.06 g/mol
Exact Mass244.98
IUPAC NameN-(5-bromo-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc(C)c(Br)c(=O)[nH]1
InChIInChI=1S/C7H8BrN3O2/c1-3-5(8)6(13)11-7(9-3)10-4(2)12/h1-2H3,(H2,9,10,11,12,13)
InChIKeyBUYVFMVZVMKHOT-UHFFFAOYSA-N
XLogP0.80
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-bromo-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide 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-5-bromo-6-methyl-4-pyrimidinol
CID 135415622
2-amino-5-bromo-6-ethyl-1H-pyrimidin-4-one
CID 135480615
2-amino-5-bromo-6-methylpyrimidin-4(3H)-one-2-amino-5-bromo-6-methylpyrimidin-4(1H)-one (1/1)
CID 139062205
2-Amino-5-bromo-4-oxy-6-methylpyrimidinium hydrogensulfate
CID 139062630
Acetamide, N-(6-acetyl-5-bromo-4-oxo-1H-pyrimidin-2-yl)-
CID 135744005
5-bromo-4-(difluoromethyl)-2-(dimethylamino)-1H-pyrimidin-6-one
CID 137229799
1-[(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine
CID 67122763
5-bromo-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one
CID 135991250
5-bromo-4-methyl-2-(methylamino)-1H-pyrimidin-6-one
CID 136225145
5-bromo-4-ethyl-2-(methylamino)-1H-pyrimidin-6-one
CID 136226004
5-bromo-2-(diethylamino)-4-methyl-1H-pyrimidin-6-one
CID 136256518
2-amino-5-bromo-4-(bromomethyl)-1H-pyrimidin-6-one
CID 136935024

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide?
The IUPAC name of N-(5-bromo-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide (CID 135794131) is N-(5-bromo-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(5-bromo-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(5-bromo-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide is CC(=O)Nc1nc(C)c(Br)c(=O)[nH]1.
What is the InChIKey of N-(5-bromo-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide?
The InChIKey is BUYVFMVZVMKHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O2/c1-3-5(8)6(13)11-7(9-3)10-4(2)12/h1-2H3,(H2,9,10,11,12,13).
What are the key properties of N-(5-bromo-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide?
N-(5-bromo-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide has a molecular weight of 246.06 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide is sourced from PubChem (CID 135794131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).