2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-(2-methoxyethyl)acetamide

C10H15BrN4O3 — CID 103745777

IUPAC2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1ncc(Br)c(OC)n1
InChIInChI=1S/C10H15BrN4O3/c1-17-4-3-12-8(16)6-14-10-13-5-7(11)9(15-10)18-2/h5H,3-4,6H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyIGVSKFKUAZQNJJ-UHFFFAOYSA-N
MW319.16 g/mol
LogP0.42
Rot. Bonds7

About 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-(2-methoxyethyl)acetamide

2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 103745777) has the molecular formula C10H15BrN4O3 and a molecular weight of 319.16 g/mol. Its IUPAC name is 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID103745777
Molecular FormulaC10H15BrN4O3
Molecular Weight319.16 g/mol
Exact Mass318.03
IUPAC Name2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1ncc(Br)c(OC)n1
InChIInChI=1S/C10H15BrN4O3/c1-17-4-3-12-8(16)6-14-10-13-5-7(11)9(15-10)18-2/h5H,3-4,6H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyIGVSKFKUAZQNJJ-UHFFFAOYSA-N
XLogP0.42
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine
CID 103745831
3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-2,2-dimethylpropanamide
CID 103745842
3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N,N-diethylpropanamide
CID 103745855
3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 103823309
5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine
CID 80858542
5-bromo-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]pyrimidin-2-amine
CID 103768548
N-(2-methoxyethyl)-2-(pyrazin-2-ylamino)acetamide
CID 115574127
5-bromo-4-methoxy-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 103746080
5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol
CID 107269299
3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]propane-1-sulfonamide
CID 106997682
2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-methylethanesulfonamide
CID 106337859

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-(2-methoxyethyl)acetamide (CID 103745777) is 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNc1ncc(Br)c(OC)n1.
What is the InChIKey of 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is IGVSKFKUAZQNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O3/c1-17-4-3-12-8(16)6-14-10-13-5-7(11)9(15-10)18-2/h5H,3-4,6H2,1-2H3,(H,12,16)(H,13,14,15).
What are the key properties of 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-(2-methoxyethyl)acetamide?
2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 319.16 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 103745777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).