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

C11H14BrN3O2 — CID 66308294

IUPAC2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
SMILESO=C(Cn1cncc(Br)c1=O)NC1CCCC1
InChIInChI=1S/C11H14BrN3O2/c12-9-5-13-7-15(11(9)17)6-10(16)14-8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H,14,16)
InChIKeyCPOHPHDGRWHPDY-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.06
Rot. Bonds3

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

2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide (PubChem CID 66308294) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
PubChem CID66308294
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
SMILESO=C(Cn1cncc(Br)c1=O)NC1CCCC1
InChIInChI=1S/C11H14BrN3O2/c12-9-5-13-7-15(11(9)17)6-10(16)14-8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H,14,16)
InChIKeyCPOHPHDGRWHPDY-UHFFFAOYSA-N
XLogP1.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.06
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-cyclopentylacetamide?
The IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide (CID 66308294) is 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide?
The canonical SMILES for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide is O=C(Cn1cncc(Br)c1=O)NC1CCCC1.
What is the InChIKey of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide?
The InChIKey is CPOHPHDGRWHPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c12-9-5-13-7-15(11(9)17)6-10(16)14-8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H,14,16).
What are the key properties of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide?
2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide has a molecular weight of 300.16 g/mol, XLogP of 1.06, 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-cyclopentylacetamide is sourced from PubChem (CID 66308294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).