2-(5-bromo-2-oxopyrimidin-1-yl)-N,N-dimethylacetamide

C8H10BrN3O2 — CID 168867408

IUPAC2-(5-bromo-2-oxopyrimidin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(Br)cnc1=O
InChIInChI=1S/C8H10BrN3O2/c1-11(2)7(13)5-12-4-6(9)3-10-8(12)14/h3-4H,5H2,1-2H3
InChIKeyXYHSXMWWJHBIRS-UHFFFAOYSA-N
MW260.09 g/mol
LogP0.09
Rot. Bonds2

About 2-(5-bromo-2-oxopyrimidin-1-yl)-N,N-dimethylacetamide

2-(5-bromo-2-oxopyrimidin-1-yl)-N,N-dimethylacetamide (PubChem CID 168867408) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is 2-(5-bromo-2-oxopyrimidin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxopyrimidin-1-yl)-N,N-dimethylacetamide
PubChem CID168867408
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Name2-(5-bromo-2-oxopyrimidin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(Br)cnc1=O
InChIInChI=1S/C8H10BrN3O2/c1-11(2)7(13)5-12-4-6(9)3-10-8(12)14/h3-4H,5H2,1-2H3
InChIKeyXYHSXMWWJHBIRS-UHFFFAOYSA-N
XLogP0.09
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-bromo-3-chloropyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide
CID 140765190
2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide
CID 138319734
2-(6-bromo-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N,N-dimethylacetamide
CID 134489889
2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide
CID 78961217
2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
CID 114582367
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide
CID 55163804
N,N-dimethyl-2-(4-methylimidazol-1-yl)acetamide
CID 169168176
N,N-dimethyl-2-(3-methyl-2-oxoimidazol-1-yl)acetamide
CID 116624464
2-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N,N-dimethylacetamide
CID 118417981
2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
CID 79302530
2-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-oxo-1-pyridinyl]-N,N-dimethylacetamide
CID 90225297
2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide
CID 84590877

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxopyrimidin-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(5-bromo-2-oxopyrimidin-1-yl)-N,N-dimethylacetamide (CID 168867408) is 2-(5-bromo-2-oxopyrimidin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-bromo-2-oxopyrimidin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-bromo-2-oxopyrimidin-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1cc(Br)cnc1=O.
What is the InChIKey of 2-(5-bromo-2-oxopyrimidin-1-yl)-N,N-dimethylacetamide?
The InChIKey is XYHSXMWWJHBIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c1-11(2)7(13)5-12-4-6(9)3-10-8(12)14/h3-4H,5H2,1-2H3.
What are the key properties of 2-(5-bromo-2-oxopyrimidin-1-yl)-N,N-dimethylacetamide?
2-(5-bromo-2-oxopyrimidin-1-yl)-N,N-dimethylacetamide has a molecular weight of 260.09 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxopyrimidin-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 168867408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).