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

C9H12BrN3O2 — CID 66310497

IUPAC2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1c(C)ncc(Br)c1=O
InChIInChI=1S/C9H12BrN3O2/c1-3-11-8(14)5-13-6(2)12-4-7(10)9(13)15/h4H,3,5H2,1-2H3,(H,11,14)
InChIKeyBQGKUPHSPLSGRJ-UHFFFAOYSA-N
MW274.12 g/mol
LogP0.45
Rot. Bonds3

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

2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide (PubChem CID 66310497) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide
PubChem CID66310497
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1c(C)ncc(Br)c1=O
InChIInChI=1S/C9H12BrN3O2/c1-3-11-8(14)5-13-6(2)12-4-7(10)9(13)15/h4H,3,5H2,1-2H3,(H,11,14)
InChIKeyBQGKUPHSPLSGRJ-UHFFFAOYSA-N
XLogP0.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide (CID 66310497) is 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide is CCNC(=O)Cn1c(C)ncc(Br)c1=O.
What is the InChIKey of 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide?
The InChIKey is BQGKUPHSPLSGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c1-3-11-8(14)5-13-6(2)12-4-7(10)9(13)15/h4H,3,5H2,1-2H3,(H,11,14).
What are the key properties of 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide?
2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide has a molecular weight of 274.12 g/mol, XLogP of 0.45, 3 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-ethylacetamide is sourced from PubChem (CID 66310497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).