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

C7H8BrN3O2 — CID 66308338

IUPAC2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1ncn(CC(N)=O)c(=O)c1Br
InChIInChI=1S/C7H8BrN3O2/c1-4-6(8)7(13)11(3-10-4)2-5(9)12/h3H,2H2,1H3,(H2,9,12)
InChIKeyZWUHNPCTNWIGQI-UHFFFAOYSA-N
MW246.06 g/mol
LogP-0.20
Rot. Bonds2

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

2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 66308338) has the molecular formula C7H8BrN3O2 and a molecular weight of 246.06 g/mol. Its IUPAC name is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID66308338
Molecular FormulaC7H8BrN3O2
Molecular Weight246.06 g/mol
Exact Mass244.98
IUPAC Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1ncn(CC(N)=O)c(=O)c1Br
InChIInChI=1S/C7H8BrN3O2/c1-4-6(8)7(13)11(3-10-4)2-5(9)12/h3H,2H2,1H3,(H2,9,12)
InChIKeyZWUHNPCTNWIGQI-UHFFFAOYSA-N
XLogP-0.20
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 5-0.20
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)acetamide?
The IUPAC name of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide (CID 66308338) is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide is Cc1ncn(CC(N)=O)c(=O)c1Br.
What is the InChIKey of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is ZWUHNPCTNWIGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O2/c1-4-6(8)7(13)11(3-10-4)2-5(9)12/h3H,2H2,1H3,(H2,9,12).
What are the key properties of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 246.06 g/mol, XLogP of -0.20, 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)acetamide is sourced from PubChem (CID 66308338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).