2-(5-bromo-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide

C13H18BrN3O2 — CID 66308074

IUPAC2-(5-bromo-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
SMILESO=C(Cn1cncc(Br)c1=O)NC1CCCCCC1
InChIInChI=1S/C13H18BrN3O2/c14-11-7-15-9-17(13(11)19)8-12(18)16-10-5-3-1-2-4-6-10/h7,9-10H,1-6,8H2,(H,16,18)
InChIKeyZVENPHZLDSZJSI-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.84
Rot. Bonds3

About 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide

2-(5-bromo-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide (PubChem CID 66308074) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(5-bromo-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
PubChem CID66308074
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name2-(5-bromo-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
SMILESO=C(Cn1cncc(Br)c1=O)NC1CCCCCC1
InChIInChI=1S/C13H18BrN3O2/c14-11-7-15-9-17(13(11)19)8-12(18)16-10-5-3-1-2-4-6-10/h7,9-10H,1-6,8H2,(H,16,18)
InChIKeyZVENPHZLDSZJSI-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide?
The IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide (CID 66308074) is 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide?
The canonical SMILES for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide is O=C(Cn1cncc(Br)c1=O)NC1CCCCCC1.
What is the InChIKey of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide?
The InChIKey is ZVENPHZLDSZJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c14-11-7-15-9-17(13(11)19)8-12(18)16-10-5-3-1-2-4-6-10/h7,9-10H,1-6,8H2,(H,16,18).
What are the key properties of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide?
2-(5-bromo-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide has a molecular weight of 328.21 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide is sourced from PubChem (CID 66308074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).