4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,6-dimethylpyrimidin-2-amine

C13H23N3O4 — CID 104568171

IUPAC4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(OCCOCCOCCOC)n1
InChIInChI=1S/C13H23N3O4/c1-11-10-12(16-13(14-2)15-11)20-9-8-19-7-6-18-5-4-17-3/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyANILMWDLNLYABJ-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.89
Rot. Bonds11

About 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,6-dimethylpyrimidin-2-amine

4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,6-dimethylpyrimidin-2-amine (PubChem CID 104568171) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,6-dimethylpyrimidin-2-amine
PubChem CID104568171
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(OCCOCCOCCOC)n1
InChIInChI=1S/C13H23N3O4/c1-11-10-12(16-13(14-2)15-11)20-9-8-19-7-6-18-5-4-17-3/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyANILMWDLNLYABJ-UHFFFAOYSA-N
XLogP0.89
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.89
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

4-(2-ethoxyethoxy)-N,6-dimethylpyrimidin-2-amine
CID 80858314
N-ethyl-4-[2-(3-methoxypropoxy)ethoxy]-6-methylpyrimidin-2-amine
CID 103176501
N,4-dimethyl-6-(2-phenoxyethoxy)pyrimidin-2-amine
CID 80859312
4-(2-methoxyethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80858368
4-[2-(3-methoxypropoxy)ethoxy]-6-methyl-N-propylpyrimidin-2-amine
CID 103176485
4-[2-(dimethylamino)ethoxy]-N,6-dimethylpyrimidin-2-amine
CID 80870972
4-hexoxy-N,6-dimethylpyrimidin-2-amine
CID 80862000
4-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-2-amine
CID 104568221
[4-(3-methoxypropoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 80917412
N,4-dimethyl-6-(2-methylpropoxy)pyrimidin-2-amine
CID 80860281
N,4-dimethyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-amine
CID 80871543
2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbonitrile
CID 114766986

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,6-dimethylpyrimidin-2-amine (CID 104568171) is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,6-dimethylpyrimidin-2-amine is CNc1nc(C)cc(OCCOCCOCCOC)n1.
What is the InChIKey of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,6-dimethylpyrimidin-2-amine?
The InChIKey is ANILMWDLNLYABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-11-10-12(16-13(14-2)15-11)20-9-8-19-7-6-18-5-4-17-3/h10H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,6-dimethylpyrimidin-2-amine?
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,6-dimethylpyrimidin-2-amine has a molecular weight of 285.34 g/mol, XLogP of 0.89, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 104568171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).