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

C10H14BrN3O2 — CID 66308123

IUPAC2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1cnc(C)c(Br)c1=O
InChIInChI=1S/C10H14BrN3O2/c1-4-13(3)8(15)5-14-6-12-7(2)9(11)10(14)16/h6H,4-5H2,1-3H3
InChIKeyXGUZBNIYEBPCPQ-UHFFFAOYSA-N
MW288.15 g/mol
LogP0.79
Rot. Bonds3

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

2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide (PubChem CID 66308123) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.15 g/mol. Its IUPAC name is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
PubChem CID66308123
Molecular FormulaC10H14BrN3O2
Molecular Weight288.15 g/mol
Exact Mass287.03
IUPAC Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1cnc(C)c(Br)c1=O
InChIInChI=1S/C10H14BrN3O2/c1-4-13(3)8(15)5-14-6-12-7(2)9(11)10(14)16/h6H,4-5H2,1-3H3
InChIKeyXGUZBNIYEBPCPQ-UHFFFAOYSA-N
XLogP0.79
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 50.79
H-Bond Donors ≤ 50
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-ethyl-N-methylacetamide?
The IUPAC name of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide (CID 66308123) is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide is CCN(C)C(=O)Cn1cnc(C)c(Br)c1=O.
What is the InChIKey of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide?
The InChIKey is XGUZBNIYEBPCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-4-13(3)8(15)5-14-6-12-7(2)9(11)10(14)16/h6H,4-5H2,1-3H3.
What are the key properties of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide?
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide has a molecular weight of 288.15 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 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-ethyl-N-methylacetamide is sourced from PubChem (CID 66308123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).