N-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide

C8H11BrN4O2 — CID 136956103

IUPACN-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C8H11BrN4O2/c1-5(14)10-2-3-11-7-6(9)8(15)13-4-12-7/h4H,2-3H2,1H3,(H,10,14)(H2,11,12,13,15)
InChIKeyYIVCOAKGXQXIQA-UHFFFAOYSA-N
MW275.11 g/mol
LogP0.08
Rot. Bonds4

About N-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide

N-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide (PubChem CID 136956103) has the molecular formula C8H11BrN4O2 and a molecular weight of 275.11 g/mol. Its IUPAC name is N-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
PubChem CID136956103
Molecular FormulaC8H11BrN4O2
Molecular Weight275.11 g/mol
Exact Mass274.01
IUPAC NameN-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C8H11BrN4O2/c1-5(14)10-2-3-11-7-6(9)8(15)13-4-12-7/h4H,2-3H2,1H3,(H,10,14)(H2,11,12,13,15)
InChIKeyYIVCOAKGXQXIQA-UHFFFAOYSA-N
XLogP0.08
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide (CID 136956103) is N-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide is CC(=O)NCCNc1nc[nH]c(=O)c1Br.
What is the InChIKey of N-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide?
The InChIKey is YIVCOAKGXQXIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4O2/c1-5(14)10-2-3-11-7-6(9)8(15)13-4-12-7/h4H,2-3H2,1H3,(H,10,14)(H2,11,12,13,15).
What are the key properties of N-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide?
N-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide has a molecular weight of 275.11 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 136956103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).