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

C12H18BrN3O2 — CID 66307962

IUPAC2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1c(C)ncc(Br)c1=O
InChIInChI=1S/C12H18BrN3O2/c1-5-12(3,4)15-10(17)7-16-8(2)14-6-9(13)11(16)18/h6H,5,7H2,1-4H3,(H,15,17)
InChIKeySTNXVBSIBCQPEV-UHFFFAOYSA-N
MW316.20 g/mol
LogP1.62
Rot. Bonds4

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

2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 66307962) has the molecular formula C12H18BrN3O2 and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
PubChem CID66307962
Molecular FormulaC12H18BrN3O2
Molecular Weight316.20 g/mol
Exact Mass315.06
IUPAC Name2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1c(C)ncc(Br)c1=O
InChIInChI=1S/C12H18BrN3O2/c1-5-12(3,4)15-10(17)7-16-8(2)14-6-9(13)11(16)18/h6H,5,7H2,1-4H3,(H,15,17)
InChIKeySTNXVBSIBCQPEV-UHFFFAOYSA-N
XLogP1.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-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-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide (CID 66307962) is 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)Cn1c(C)ncc(Br)c1=O.
What is the InChIKey of 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is STNXVBSIBCQPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2/c1-5-12(3,4)15-10(17)7-16-8(2)14-6-9(13)11(16)18/h6H,5,7H2,1-4H3,(H,15,17).
What are the key properties of 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide?
2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 316.20 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 66307962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).