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

C10H15BrN4O2 — CID 136957697

IUPAC2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H15BrN4O2/c1-3-12-7(16)5-15(4-2)9-8(11)10(17)14-6-13-9/h6H,3-5H2,1-2H3,(H,12,16)(H,13,14,17)
InChIKeyUOJAGBHAUSBMDG-UHFFFAOYSA-N
MW303.16 g/mol
LogP0.49
Rot. Bonds5

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

2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-ethylacetamide (PubChem CID 136957697) has the molecular formula C10H15BrN4O2 and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-ethylacetamide
PubChem CID136957697
Molecular FormulaC10H15BrN4O2
Molecular Weight303.16 g/mol
Exact Mass302.04
IUPAC Name2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H15BrN4O2/c1-3-12-7(16)5-15(4-2)9-8(11)10(17)14-6-13-9/h6H,3-5H2,1-2H3,(H,12,16)(H,13,14,17)
InChIKeyUOJAGBHAUSBMDG-UHFFFAOYSA-N
XLogP0.49
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-ethylacetamide (CID 136957697) is 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)c1nc[nH]c(=O)c1Br.
What is the InChIKey of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-ethylacetamide?
The InChIKey is UOJAGBHAUSBMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O2/c1-3-12-7(16)5-15(4-2)9-8(11)10(17)14-6-13-9/h6H,3-5H2,1-2H3,(H,12,16)(H,13,14,17).
What are the key properties of 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-ethylacetamide?
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-ethylacetamide has a molecular weight of 303.16 g/mol, XLogP of 0.49, 5 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]-N-ethylacetamide is sourced from PubChem (CID 136957697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).