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

C9H12BrN3O2 — CID 66308278

IUPAC2-(5-bromo-6-oxopyrimidin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1cncc(Br)c1=O
InChIInChI=1S/C9H12BrN3O2/c1-2-3-12-8(14)5-13-6-11-4-7(10)9(13)15/h4,6H,2-3,5H2,1H3,(H,12,14)
InChIKeyUYHGAGCGYIPEMV-UHFFFAOYSA-N
MW274.12 g/mol
LogP0.53
Rot. Bonds4

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

2-(5-bromo-6-oxopyrimidin-1-yl)-N-propylacetamide (PubChem CID 66308278) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 2-(5-bromo-6-oxopyrimidin-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(5-bromo-6-oxopyrimidin-1-yl)-N-propylacetamide
PubChem CID66308278
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name2-(5-bromo-6-oxopyrimidin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1cncc(Br)c1=O
InChIInChI=1S/C9H12BrN3O2/c1-2-3-12-8(14)5-13-6-11-4-7(10)9(13)15/h4,6H,2-3,5H2,1H3,(H,12,14)
InChIKeyUYHGAGCGYIPEMV-UHFFFAOYSA-N
XLogP0.53
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 50.53
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-propylacetamide?
The IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-propylacetamide (CID 66308278) is 2-(5-bromo-6-oxopyrimidin-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-propylacetamide is CCCNC(=O)Cn1cncc(Br)c1=O.
What is the InChIKey of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-propylacetamide?
The InChIKey is UYHGAGCGYIPEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c1-2-3-12-8(14)5-13-6-11-4-7(10)9(13)15/h4,6H,2-3,5H2,1H3,(H,12,14).
What are the key properties of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-propylacetamide?
2-(5-bromo-6-oxopyrimidin-1-yl)-N-propylacetamide has a molecular weight of 274.12 g/mol, XLogP of 0.53, 4 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-propylacetamide is sourced from PubChem (CID 66308278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).