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

C10H14BrN3O3 — CID 66307970

IUPAC2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1c(C)ncc(Br)c1=O
InChIInChI=1S/C10H14BrN3O3/c1-7-13-5-8(11)10(16)14(7)6-9(15)12-3-4-17-2/h5H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyQKAGRYFBDQFDQT-UHFFFAOYSA-N
MW304.14 g/mol
LogP0.08
Rot. Bonds5

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

2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 66307970) has the molecular formula C10H14BrN3O3 and a molecular weight of 304.14 g/mol. Its IUPAC name is 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
PubChem CID66307970
Molecular FormulaC10H14BrN3O3
Molecular Weight304.14 g/mol
Exact Mass303.02
IUPAC Name2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1c(C)ncc(Br)c1=O
InChIInChI=1S/C10H14BrN3O3/c1-7-13-5-8(11)10(16)14(7)6-9(15)12-3-4-17-2/h5H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyQKAGRYFBDQFDQT-UHFFFAOYSA-N
XLogP0.08
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide (CID 66307970) is 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1c(C)ncc(Br)c1=O.
What is the InChIKey of 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is QKAGRYFBDQFDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O3/c1-7-13-5-8(11)10(16)14(7)6-9(15)12-3-4-17-2/h5H,3-4,6H2,1-2H3,(H,12,15).
What are the key properties of 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide?
2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 304.14 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 66307970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).