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

C9H10BrN3O2 — CID 66308304

IUPAC2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
SMILESO=C(Cn1cncc(Br)c1=O)NC1CC1
InChIInChI=1S/C9H10BrN3O2/c10-7-3-11-5-13(9(7)15)4-8(14)12-6-1-2-6/h3,5-6H,1-2,4H2,(H,12,14)
InChIKeyHQLRQXHNSDIIEU-UHFFFAOYSA-N
MW272.10 g/mol
LogP0.28
Rot. Bonds3

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

2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide (PubChem CID 66308304) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
PubChem CID66308304
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
SMILESO=C(Cn1cncc(Br)c1=O)NC1CC1
InChIInChI=1S/C9H10BrN3O2/c10-7-3-11-5-13(9(7)15)4-8(14)12-6-1-2-6/h3,5-6H,1-2,4H2,(H,12,14)
InChIKeyHQLRQXHNSDIIEU-UHFFFAOYSA-N
XLogP0.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 50.28
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-cyclopropylacetamide?
The IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide (CID 66308304) is 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide?
The canonical SMILES for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide is O=C(Cn1cncc(Br)c1=O)NC1CC1.
What is the InChIKey of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide?
The InChIKey is HQLRQXHNSDIIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c10-7-3-11-5-13(9(7)15)4-8(14)12-6-1-2-6/h3,5-6H,1-2,4H2,(H,12,14).
What are the key properties of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide?
2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide has a molecular weight of 272.10 g/mol, XLogP of 0.28, 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-cyclopropylacetamide is sourced from PubChem (CID 66308304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).