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

C8H10BrN3O2 — CID 66309397

IUPAC2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1cnc(C)c(Br)c1=O
InChIInChI=1S/C8H10BrN3O2/c1-5-7(9)8(14)12(4-11-5)3-6(13)10-2/h4H,3H2,1-2H3,(H,10,13)
InChIKeyPGWAVZHCVLEFNE-UHFFFAOYSA-N
MW260.09 g/mol
LogP0.06
Rot. Bonds2

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

2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide (PubChem CID 66309397) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide
PubChem CID66309397
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1cnc(C)c(Br)c1=O
InChIInChI=1S/C8H10BrN3O2/c1-5-7(9)8(14)12(4-11-5)3-6(13)10-2/h4H,3H2,1-2H3,(H,10,13)
InChIKeyPGWAVZHCVLEFNE-UHFFFAOYSA-N
XLogP0.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide?
The IUPAC name of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide (CID 66309397) is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide is CNC(=O)Cn1cnc(C)c(Br)c1=O.
What is the InChIKey of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide?
The InChIKey is PGWAVZHCVLEFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c1-5-7(9)8(14)12(4-11-5)3-6(13)10-2/h4H,3H2,1-2H3,(H,10,13).
What are the key properties of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide?
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide has a molecular weight of 260.09 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 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-methylacetamide is sourced from PubChem (CID 66309397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).