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

C8H11BrN4O2 — CID 136713545

IUPAC2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide
SMILESCCN(CC(N)=O)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C8H11BrN4O2/c1-2-13(3-5(10)14)7-6(9)8(15)12-4-11-7/h4H,2-3H2,1H3,(H2,10,14)(H,11,12,15)
InChIKeyHNWFCCJILHSPOX-UHFFFAOYSA-N
MW275.11 g/mol
LogP-0.16
Rot. Bonds4

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

2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide (PubChem CID 136713545) has the molecular formula C8H11BrN4O2 and a molecular weight of 275.11 g/mol. Its IUPAC name is 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide
PubChem CID136713545
Molecular FormulaC8H11BrN4O2
Molecular Weight275.11 g/mol
Exact Mass274.01
IUPAC Name2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide
SMILESCCN(CC(N)=O)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C8H11BrN4O2/c1-2-13(3-5(10)14)7-6(9)8(15)12-4-11-7/h4H,2-3H2,1H3,(H2,10,14)(H,11,12,15)
InChIKeyHNWFCCJILHSPOX-UHFFFAOYSA-N
XLogP-0.16
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine, 4,5-bisethylamino-6-hydroxy-
CID 135814991
Pyrimidine, 5-diethylamino-4-ethylamino-6-hydroxy-
CID 171384170
4-[2-aminoethyl(2,2-difluoroethyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136728228
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136728237
2-(5-bromo-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
CID 66308078
2-(5-bromo-6-oxopyrimidin-1-yl)-N-propylacetamide
CID 66308278
2-(5-bromo-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 66308292
5-Bromo-6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
CID 66308330
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide
CID 66308342
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
CID 66309181
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 66309397
5-Bromo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
CID 66309553

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide?
The IUPAC name of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide (CID 136713545) is 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide.
What is the SMILES notation for 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide?
The canonical SMILES for 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide is CCN(CC(N)=O)c1nc[nH]c(=O)c1Br.
What is the InChIKey of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide?
The InChIKey is HNWFCCJILHSPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4O2/c1-2-13(3-5(10)14)7-6(9)8(15)12-4-11-7/h4H,2-3H2,1H3,(H2,10,14)(H,11,12,15).
What are the key properties of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide?
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide has a molecular weight of 275.11 g/mol, XLogP of -0.16, 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)-ethylamino]acetamide is sourced from PubChem (CID 136713545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).