2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide

C8H10BrN3O2 — CID 66309556

IUPAC2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cncc(Br)c1=O
InChIInChI=1S/C8H10BrN3O2/c1-11(2)7(13)4-12-5-10-3-6(9)8(12)14/h3,5H,4H2,1-2H3
InChIKeyXWAVGJBKCIZWEJ-UHFFFAOYSA-N
MW260.09 g/mol
LogP0.09
Rot. Bonds2

About 2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide

2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide (PubChem CID 66309556) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is 2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
PubChem CID66309556
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Name2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cncc(Br)c1=O
InChIInChI=1S/C8H10BrN3O2/c1-11(2)7(13)4-12-5-10-3-6(9)8(12)14/h3,5H,4H2,1-2H3
InChIKeyXWAVGJBKCIZWEJ-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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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide (CID 66309556) is 2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1cncc(Br)c1=O.
What is the InChIKey of 2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide?
The InChIKey is XWAVGJBKCIZWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c1-11(2)7(13)4-12-5-10-3-6(9)8(12)14/h3,5H,4H2,1-2H3.
What are the key properties of 2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide?
2-(5-bromo-6-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-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 66309556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).