2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide

C11H16BrN3O2 — CID 66310683

IUPAC2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cnc(C)c(Br)c1=O
InChIInChI=1S/C11H16BrN3O2/c1-4-14(5-2)9(16)6-15-7-13-8(3)10(12)11(15)17/h7H,4-6H2,1-3H3
InChIKeyQYBOKMMLDKPQOT-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.18
Rot. Bonds4

About 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide

2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide (PubChem CID 66310683) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide
PubChem CID66310683
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cnc(C)c(Br)c1=O
InChIInChI=1S/C11H16BrN3O2/c1-4-14(5-2)9(16)6-15-7-13-8(3)10(12)11(15)17/h7H,4-6H2,1-3H3
InChIKeyQYBOKMMLDKPQOT-UHFFFAOYSA-N
XLogP1.18
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide 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,N-diethylacetamide?
The IUPAC name of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide (CID 66310683) is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide is CCN(CC)C(=O)Cn1cnc(C)c(Br)c1=O.
What is the InChIKey of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide?
The InChIKey is QYBOKMMLDKPQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-4-14(5-2)9(16)6-15-7-13-8(3)10(12)11(15)17/h7H,4-6H2,1-3H3.
What are the key properties of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide?
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide has a molecular weight of 302.17 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide is sourced from PubChem (CID 66310683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).