2-(5-bromo-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide

C9H12BrN3O2 — CID 66309770

IUPAC2-(5-bromo-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1cncc(Br)c1=O
InChIInChI=1S/C9H12BrN3O2/c1-3-12(2)8(14)5-13-6-11-4-7(10)9(13)15/h4,6H,3,5H2,1-2H3
InChIKeyTUXBIESSSDSSIM-UHFFFAOYSA-N
MW274.12 g/mol
LogP0.48
Rot. Bonds3

About 2-(5-bromo-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide

2-(5-bromo-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide (PubChem CID 66309770) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 2-(5-bromo-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(5-bromo-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
PubChem CID66309770
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name2-(5-bromo-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1cncc(Br)c1=O
InChIInChI=1S/C9H12BrN3O2/c1-3-12(2)8(14)5-13-6-11-4-7(10)9(13)15/h4,6H,3,5H2,1-2H3
InChIKeyTUXBIESSSDSSIM-UHFFFAOYSA-N
XLogP0.48
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-3-(2-oxopropyl)-3,4-dihydropyrimidin-4-one
CID 66310194
5-Bromo-3-(3-fluorobutyl)pyrimidin-4-one
CID 130834379
5-Bromo-3-(2-(dimethylamino)ethyl)pyrimidin-4(3H)-one
CID 57584103
5-Bromo-3-propylpyrimidin-4-one
CID 66307883
5-Bromo-3-(2-methylpropyl)pyrimidin-4-one
CID 66310188
5-Bromo-3-ethyl-4(3h)-pyrimidinone
CID 66311055
5-Bromo-3-propan-2-ylpyrimidin-4-one
CID 166981741
5-bromo-3-[(2R)-butan-2-yl]pyrimidin-4-one
CID 166981876
5-bromo-3-[(2S)-butan-2-yl]pyrimidin-4-one
CID 170654504
3-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 66307871
5-Bromo-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 66307891
5-Bromo-2-methyl-3-(2-oxopropyl)pyrimidin-4-one
CID 66307983

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide (CID 66309770) is 2-(5-bromo-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide is CCN(C)C(=O)Cn1cncc(Br)c1=O.
What is the InChIKey of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide?
The InChIKey is TUXBIESSSDSSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c1-3-12(2)8(14)5-13-6-11-4-7(10)9(13)15/h4,6H,3,5H2,1-2H3.
What are the key properties of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide?
2-(5-bromo-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide has a molecular weight of 274.12 g/mol, XLogP of 0.48, 3 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-ethyl-N-methylacetamide is sourced from PubChem (CID 66309770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).