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

C12H18BrN3O2 — CID 66309827

IUPAC2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1cnc(C)c(Br)c1=O
InChIInChI=1S/C12H18BrN3O2/c1-4-5-8(2)15-10(17)6-16-7-14-9(3)11(13)12(16)18/h7-8H,4-6H2,1-3H3,(H,15,17)
InChIKeyOPEBXPNWDAUEDZ-UHFFFAOYSA-N
MW316.20 g/mol
LogP1.62
Rot. Bonds5

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

2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide (PubChem CID 66309827) has the molecular formula C12H18BrN3O2 and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
PubChem CID66309827
Molecular FormulaC12H18BrN3O2
Molecular Weight316.20 g/mol
Exact Mass315.06
IUPAC Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1cnc(C)c(Br)c1=O
InChIInChI=1S/C12H18BrN3O2/c1-4-5-8(2)15-10(17)6-16-7-14-9(3)11(13)12(16)18/h7-8H,4-6H2,1-3H3,(H,15,17)
InChIKeyOPEBXPNWDAUEDZ-UHFFFAOYSA-N
XLogP1.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 51.62
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-pentan-2-ylacetamide?
The IUPAC name of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide (CID 66309827) is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1cnc(C)c(Br)c1=O.
What is the InChIKey of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide?
The InChIKey is OPEBXPNWDAUEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2/c1-4-5-8(2)15-10(17)6-16-7-14-9(3)11(13)12(16)18/h7-8H,4-6H2,1-3H3,(H,15,17).
What are the key properties of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide?
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide has a molecular weight of 316.20 g/mol, XLogP of 1.62, 5 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-pentan-2-ylacetamide is sourced from PubChem (CID 66309827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).