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

C8H11BrN4O3 — CID 136805714

IUPAC2-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C8H11BrN4O3/c9-6-7(12-4-13-8(6)15)11-1-2-16-3-5(10)14/h4H,1-3H2,(H2,10,14)(H2,11,12,13,15)
InChIKeyXISSNZNTQIMAFZ-UHFFFAOYSA-N
MW291.11 g/mol
LogP-0.55
Rot. Bonds6

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

2-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide (PubChem CID 136805714) has the molecular formula C8H11BrN4O3 and a molecular weight of 291.11 g/mol. Its IUPAC name is 2-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
PubChem CID136805714
Molecular FormulaC8H11BrN4O3
Molecular Weight291.11 g/mol
Exact Mass290.00
IUPAC Name2-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C8H11BrN4O3/c9-6-7(12-4-13-8(6)15)11-1-2-16-3-5(10)14/h4H,1-3H2,(H2,10,14)(H2,11,12,13,15)
InChIKeyXISSNZNTQIMAFZ-UHFFFAOYSA-N
XLogP-0.55
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.11
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136896835
5-bromo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136956680
4-[3-(2-aminoethoxy)propylamino]-5-bromo-1H-pyrimidin-6-one
CID 136730543
5-bromo-4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136764981
2-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
CID 136805707
2-[2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
CID 136805709
2-[2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
CID 136805711
2-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
CID 136805713
5-bromo-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820298
4-[(1-amino-3-methoxypropan-2-yl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136870581
4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136896837
5-bromo-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one
CID 136896843

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide (CID 136805714) is 2-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide is NC(=O)COCCNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 2-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide?
The InChIKey is XISSNZNTQIMAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4O3/c9-6-7(12-4-13-8(6)15)11-1-2-16-3-5(10)14/h4H,1-3H2,(H2,10,14)(H2,11,12,13,15).
What are the key properties of 2-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide?
2-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide has a molecular weight of 291.11 g/mol, XLogP of -0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 136805714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).