2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-ethylacetamide

C9H13BrN4O2 — CID 136957643

IUPAC2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H13BrN4O2/c1-3-11-6(15)4-14(2)8-7(10)9(16)13-5-12-8/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13,16)
InChIKeyMIHQYMRHRYSMIM-UHFFFAOYSA-N
MW289.13 g/mol
LogP0.10
Rot. Bonds4

About 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-ethylacetamide

2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-ethylacetamide (PubChem CID 136957643) has the molecular formula C9H13BrN4O2 and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-ethylacetamide
PubChem CID136957643
Molecular FormulaC9H13BrN4O2
Molecular Weight289.13 g/mol
Exact Mass288.02
IUPAC Name2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H13BrN4O2/c1-3-11-6(15)4-14(2)8-7(10)9(16)13-5-12-8/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13,16)
InChIKeyMIHQYMRHRYSMIM-UHFFFAOYSA-N
XLogP0.10
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-ethylacetamide 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-oxo-1H-pyrimidin-4-yl)-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-ethylacetamide (CID 136957643) is 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)c1nc[nH]c(=O)c1Br.
What is the InChIKey of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-ethylacetamide?
The InChIKey is MIHQYMRHRYSMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O2/c1-3-11-6(15)4-14(2)8-7(10)9(16)13-5-12-8/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13,16).
What are the key properties of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-ethylacetamide?
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-ethylacetamide has a molecular weight of 289.13 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-ethylacetamide is sourced from PubChem (CID 136957643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).