5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-4-amine

C11H19N3O4 — CID 104568270

IUPAC5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(OCCOCCOC)c1OC
InChIInChI=1S/C11H19N3O4/c1-12-10-9(16-3)11(14-8-13-10)18-7-6-17-5-4-15-2/h8H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyLRQIWSJMUCCCEH-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.57
Rot. Bonds9

About 5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-4-amine

5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-4-amine (PubChem CID 104568270) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-4-amine
PubChem CID104568270
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(OCCOCCOC)c1OC
InChIInChI=1S/C11H19N3O4/c1-12-10-9(16-3)11(14-8-13-10)18-7-6-17-5-4-15-2/h8H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyLRQIWSJMUCCCEH-UHFFFAOYSA-N
XLogP0.57
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-propylpyrimidin-4-amine
CID 104568305
4-chloro-5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]pyrimidine
CID 104561380
6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80859076
6-(2-cyclobutylethoxy)-5-methoxy-N-methylpyrimidin-4-amine
CID 106207741
N-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-4-amine
CID 104568195
N,5-diethyl-6-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine
CID 104568314
6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 80860362
N-methyl-6-(2-propoxyethoxy)-5-propylpyrimidin-4-amine
CID 80876335
6-[(2-bromophenyl)methoxy]-5-methoxy-N-methylpyrimidin-4-amine
CID 82826086
4-ethoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrimidin-5-amine
CID 104559912
4-[2-(2-methoxyethoxy)ethoxy]quinazolin-6-amine
CID 104559985
5-ethyl-6-[3-(2-methoxyethoxy)propoxy]-N-propylpyrimidin-4-amine
CID 103408222

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-4-amine?
The IUPAC name of 5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-4-amine (CID 104568270) is 5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-4-amine is CNc1ncnc(OCCOCCOC)c1OC.
What is the InChIKey of 5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-4-amine?
The InChIKey is LRQIWSJMUCCCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-12-10-9(16-3)11(14-8-13-10)18-7-6-17-5-4-15-2/h8H,4-7H2,1-3H3,(H,12,13,14).
What are the key properties of 5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-4-amine?
5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-4-amine has a molecular weight of 257.29 g/mol, XLogP of 0.57, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 104568270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).