2-[(5-bromo-6-chloropyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide

C10H14BrClN4O2 — CID 114071706

IUPAC2-[(5-bromo-6-chloropyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1ncnc(Cl)c1Br
InChIInChI=1S/C10H14BrClN4O2/c1-16(5-7(17)13-3-4-18-2)10-8(11)9(12)14-6-15-10/h6H,3-5H2,1-2H3,(H,13,17)
InChIKeySZENEMAHSZBHBB-UHFFFAOYSA-N
MW337.61 g/mol
LogP1.09
Rot. Bonds6

About 2-[(5-bromo-6-chloropyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide

2-[(5-bromo-6-chloropyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 114071706) has the molecular formula C10H14BrClN4O2 and a molecular weight of 337.61 g/mol. Its IUPAC name is 2-[(5-bromo-6-chloropyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromo-6-chloropyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID114071706
Molecular FormulaC10H14BrClN4O2
Molecular Weight337.61 g/mol
Exact Mass336.00
IUPAC Name2-[(5-bromo-6-chloropyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1ncnc(Cl)c1Br
InChIInChI=1S/C10H14BrClN4O2/c1-16(5-7(17)13-3-4-18-2)10-8(11)9(12)14-6-15-10/h6H,3-5H2,1-2H3,(H,13,17)
InChIKeySZENEMAHSZBHBB-UHFFFAOYSA-N
XLogP1.09
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.61
LogP ≤ 51.09
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-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 104506622
2-[(4-chloro-1,2,5-thiadiazol-3-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 60726164
2-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 55142736
2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 64624526
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 55023792
N-(2-methoxyethyl)-2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80806380
2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 80692696
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 137009322
6-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-5-methylpyridine-3-carboxylic acid
CID 80632539
2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide
CID 114072094
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 81132098
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 114583334

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-6-chloropyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(5-bromo-6-chloropyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide (CID 114071706) is 2-[(5-bromo-6-chloropyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(5-bromo-6-chloropyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(5-bromo-6-chloropyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)c1ncnc(Cl)c1Br.
What is the InChIKey of 2-[(5-bromo-6-chloropyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is SZENEMAHSZBHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN4O2/c1-16(5-7(17)13-3-4-18-2)10-8(11)9(12)14-6-15-10/h6H,3-5H2,1-2H3,(H,13,17).
What are the key properties of 2-[(5-bromo-6-chloropyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
2-[(5-bromo-6-chloropyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 337.61 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-6-chloropyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 114071706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).