5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine

C8H12BrN3O2 — CID 103726573

IUPAC5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
SMILESCOCCNc1ncc(Br)c(OC)n1
InChIInChI=1S/C8H12BrN3O2/c1-13-4-3-10-8-11-5-6(9)7(12-8)14-2/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyONYLCOHBQHUYJB-UHFFFAOYSA-N
MW262.11 g/mol
LogP1.31
Rot. Bonds5

About 5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine

5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine (PubChem CID 103726573) has the molecular formula C8H12BrN3O2 and a molecular weight of 262.11 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
PubChem CID103726573
Molecular FormulaC8H12BrN3O2
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
SMILESCOCCNc1ncc(Br)c(OC)n1
InChIInChI=1S/C8H12BrN3O2/c1-13-4-3-10-8-11-5-6(9)7(12-8)14-2/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyONYLCOHBQHUYJB-UHFFFAOYSA-N
XLogP1.31
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 51.31
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

5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine
CID 103745831
2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 103745777
5-bromo-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]pyrimidin-2-amine
CID 103768548
5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine
CID 80858542
5-bromo-4-methoxy-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 103746080
5-bromo-4-methoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine
CID 106998147
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine
CID 106998101
3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]propane-1-sulfonamide
CID 106997682
5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol
CID 107269299
2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-methylethanesulfonamide
CID 106337859
5-bromo-4-methoxy-N-(3-methylsulfanylbutyl)pyrimidin-2-amine
CID 106997923
5-bromo-N-(2-cyclobutylethyl)-4-methoxypyrimidin-2-amine
CID 103748709

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine (CID 103726573) is 5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine is COCCNc1ncc(Br)c(OC)n1.
What is the InChIKey of 5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine?
The InChIKey is ONYLCOHBQHUYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2/c1-13-4-3-10-8-11-5-6(9)7(12-8)14-2/h5H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine?
5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine has a molecular weight of 262.11 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine is sourced from PubChem (CID 103726573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).