2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide

C9H11BrClN3O3 — CID 114583334

IUPAC2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C9H11BrClN3O3/c1-17-3-2-12-6(15)4-14-5-13-8(11)7(10)9(14)16/h5H,2-4H2,1H3,(H,12,15)
InChIKeyJNPDQOJDYXCSOL-UHFFFAOYSA-N
MW324.56 g/mol
LogP0.42
Rot. Bonds5

About 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide

2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 114583334) has the molecular formula C9H11BrClN3O3 and a molecular weight of 324.56 g/mol. Its IUPAC name is 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
PubChem CID114583334
Molecular FormulaC9H11BrClN3O3
Molecular Weight324.56 g/mol
Exact Mass322.97
IUPAC Name2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C9H11BrClN3O3/c1-17-3-2-12-6(15)4-14-5-13-8(11)7(10)9(14)16/h5H,2-4H2,1H3,(H,12,15)
InChIKeyJNPDQOJDYXCSOL-UHFFFAOYSA-N
XLogP0.42
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.56
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 114583701
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 114585479
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114583609
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 114582039
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
CID 7886604
2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide
CID 104505729
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-phenylacetamide
CID 114583395
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
CID 114583697
2-(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methoxyethyl)acetamide
CID 18525583
N-(2-methoxyethyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 115944319
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide
CID 114583560
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide
CID 114585387

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide (CID 114583334) is 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1cnc(Cl)c(Br)c1=O.
What is the InChIKey of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is JNPDQOJDYXCSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN3O3/c1-17-3-2-12-6(15)4-14-5-13-8(11)7(10)9(14)16/h5H,2-4H2,1H3,(H,12,15).
What are the key properties of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide?
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 324.56 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 114583334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).