2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide

C12H18BrN3O2 — CID 66308121

IUPAC2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCc1ncn(CC(=O)NC(C)C(C)C)c(=O)c1Br
InChIInChI=1S/C12H18BrN3O2/c1-7(2)8(3)15-10(17)5-16-6-14-9(4)11(13)12(16)18/h6-8H,5H2,1-4H3,(H,15,17)
InChIKeyUFJVZTSEPYWION-UHFFFAOYSA-N
MW316.20 g/mol
LogP1.47
Rot. Bonds4

About 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide

2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 66308121) 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-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
PubChem CID66308121
Molecular FormulaC12H18BrN3O2
Molecular Weight316.20 g/mol
Exact Mass315.06
IUPAC Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCc1ncn(CC(=O)NC(C)C(C)C)c(=O)c1Br
InChIInChI=1S/C12H18BrN3O2/c1-7(2)8(3)15-10(17)5-16-6-14-9(4)11(13)12(16)18/h6-8H,5H2,1-4H3,(H,15,17)
InChIKeyUFJVZTSEPYWION-UHFFFAOYSA-N
XLogP1.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 51.47
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-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide (CID 66308121) is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide is Cc1ncn(CC(=O)NC(C)C(C)C)c(=O)c1Br.
What is the InChIKey of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is UFJVZTSEPYWION-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2/c1-7(2)8(3)15-10(17)5-16-6-14-9(4)11(13)12(16)18/h6-8H,5H2,1-4H3,(H,15,17).
What are the key properties of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 316.20 g/mol, XLogP of 1.47, 4 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-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 66308121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).