2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide

C12H18BrN3O2 — CID 66308122

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

About 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide

2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide (PubChem CID 66308122) 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-3-ylacetamide.

Molecular Properties

Compound Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
PubChem CID66308122
Molecular FormulaC12H18BrN3O2
Molecular Weight316.20 g/mol
Exact Mass315.06
IUPAC Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1cnc(C)c(Br)c1=O
InChIInChI=1S/C12H18BrN3O2/c1-4-9(5-2)15-10(17)6-16-7-14-8(3)11(13)12(16)18/h7,9H,4-6H2,1-3H3,(H,15,17)
InChIKeyWYZBDOVHCSWFRU-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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Related Compounds

CID 66310018
CID 66310018
CID 66307930
CID 66307930
CID 66307948
CID 66307948
CID 66308078
CID 66308078
CID 66308111
CID 66308111
CID 66308120
CID 66308120
CID 66308121
CID 66308121
CID 66308123
CID 66308123
CID 66308134
CID 66308134
CID 66308140
CID 66308140
CID 66308150
CID 66308150
CID 66308152
CID 66308152

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide (CID 66308122) is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)Cn1cnc(C)c(Br)c1=O.
What is the InChIKey of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide?
The InChIKey is WYZBDOVHCSWFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2/c1-4-9(5-2)15-10(17)6-16-7-14-8(3)11(13)12(16)18/h7,9H,4-6H2,1-3H3,(H,15,17).
What are the key properties of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide?
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-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-3-ylacetamide is sourced from PubChem (CID 66308122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).