2-(5-bromo-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide

C8H7BrN4O2 — CID 66309570

IUPAC2-(5-bromo-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)Cn1cncc(Br)c1=O
InChIInChI=1S/C8H7BrN4O2/c9-6-3-11-5-13(8(6)15)4-7(14)12-2-1-10/h3,5H,2,4H2,(H,12,14)
InChIKeyIGAXLBXBPABPNT-UHFFFAOYSA-N
MW271.07 g/mol
LogP-0.35
Rot. Bonds3

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

2-(5-bromo-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide (PubChem CID 66309570) has the molecular formula C8H7BrN4O2 and a molecular weight of 271.07 g/mol. Its IUPAC name is 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide
PubChem CID66309570
Molecular FormulaC8H7BrN4O2
Molecular Weight271.07 g/mol
Exact Mass269.98
IUPAC Name2-(5-bromo-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)Cn1cncc(Br)c1=O
InChIInChI=1S/C8H7BrN4O2/c9-6-3-11-5-13(8(6)15)4-7(14)12-2-1-10/h3,5H,2,4H2,(H,12,14)
InChIKeyIGAXLBXBPABPNT-UHFFFAOYSA-N
XLogP-0.35
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide?
The IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide (CID 66309570) is 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide is N#CCNC(=O)Cn1cncc(Br)c1=O.
What is the InChIKey of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide?
The InChIKey is IGAXLBXBPABPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O2/c9-6-3-11-5-13(8(6)15)4-7(14)12-2-1-10/h3,5H,2,4H2,(H,12,14).
What are the key properties of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide?
2-(5-bromo-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide has a molecular weight of 271.07 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide is sourced from PubChem (CID 66309570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).