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

C13H18BrN3O2 — CID 66308759

IUPAC2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide
SMILESCc1ncn(CC(=O)NC2CCCCC2)c(=O)c1Br
InChIInChI=1S/C13H18BrN3O2/c1-9-12(14)13(19)17(8-15-9)7-11(18)16-10-5-3-2-4-6-10/h8,10H,2-7H2,1H3,(H,16,18)
InChIKeyHWFHRKXISLEYMG-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.76
Rot. Bonds3

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

2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide (PubChem CID 66308759) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide
PubChem CID66308759
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide
SMILESCc1ncn(CC(=O)NC2CCCCC2)c(=O)c1Br
InChIInChI=1S/C13H18BrN3O2/c1-9-12(14)13(19)17(8-15-9)7-11(18)16-10-5-3-2-4-6-10/h8,10H,2-7H2,1H3,(H,16,18)
InChIKeyHWFHRKXISLEYMG-UHFFFAOYSA-N
XLogP1.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.76
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-cyclohexylacetamide?
The IUPAC name of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide (CID 66308759) is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide?
The canonical SMILES for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide is Cc1ncn(CC(=O)NC2CCCCC2)c(=O)c1Br.
What is the InChIKey of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide?
The InChIKey is HWFHRKXISLEYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-9-12(14)13(19)17(8-15-9)7-11(18)16-10-5-3-2-4-6-10/h8,10H,2-7H2,1H3,(H,16,18).
What are the key properties of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide?
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide has a molecular weight of 328.21 g/mol, XLogP of 1.76, 3 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-cyclohexylacetamide is sourced from PubChem (CID 66308759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).