2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide

C11H16BrN3O3 — CID 66308768

IUPAC2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)Cn1cnc(C)c(Br)c1=O
InChIInChI=1S/C11H16BrN3O3/c1-7(5-18-3)14-9(16)4-15-6-13-8(2)10(12)11(15)17/h6-7H,4-5H2,1-3H3,(H,14,16)
InChIKeyKQYXAOBCQUKMQT-UHFFFAOYSA-N
MW318.17 g/mol
LogP0.47
Rot. Bonds5

About 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide

2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 66308768) has the molecular formula C11H16BrN3O3 and a molecular weight of 318.17 g/mol. Its IUPAC name is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID66308768
Molecular FormulaC11H16BrN3O3
Molecular Weight318.17 g/mol
Exact Mass317.04
IUPAC Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)Cn1cnc(C)c(Br)c1=O
InChIInChI=1S/C11H16BrN3O3/c1-7(5-18-3)14-9(16)4-15-6-13-8(2)10(12)11(15)17/h6-7H,4-5H2,1-3H3,(H,14,16)
InChIKeyKQYXAOBCQUKMQT-UHFFFAOYSA-N
XLogP0.47
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-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

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide (CID 66308768) is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)Cn1cnc(C)c(Br)c1=O.
What is the InChIKey of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is KQYXAOBCQUKMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3/c1-7(5-18-3)14-9(16)4-15-6-13-8(2)10(12)11(15)17/h6-7H,4-5H2,1-3H3,(H,14,16).
What are the key properties of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 318.17 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 66308768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).