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

C10H17N3O3 — CID 104568221

IUPAC4-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(OCCOCCOC)n1
InChIInChI=1S/C10H17N3O3/c1-11-10-12-4-3-9(13-10)16-8-7-15-6-5-14-2/h3-4H,5-8H2,1-2H3,(H,11,12,13)
InChIKeyGSLKZOVSCPPRRK-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.56
Rot. Bonds8

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

4-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-2-amine (PubChem CID 104568221) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-2-amine
PubChem CID104568221
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(OCCOCCOC)n1
InChIInChI=1S/C10H17N3O3/c1-11-10-12-4-3-9(13-10)16-8-7-15-6-5-14-2/h3-4H,5-8H2,1-2H3,(H,11,12,13)
InChIKeyGSLKZOVSCPPRRK-UHFFFAOYSA-N
XLogP0.56
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(2-methoxyethoxy)ethoxy]pyrimidin-2-yl]hydrazine
CID 104568494
N-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrimidin-2-amine
CID 106451393
2-chloro-4-[2-(2-methoxyethoxy)ethoxy]pyrimidine
CID 104561376
3-[2-(methylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80865476
4-[2-(2-methoxyethoxy)ethoxy]pyrimidin-2-amine
CID 104568278
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,6-dimethylpyrimidin-2-amine
CID 104568171
4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine
CID 112637344
4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine
CID 78818903
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-4-amine
CID 104559850
6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpyridin-3-amine
CID 104559873
2-chloro-6-[2-(2-methoxyethoxy)ethoxy]pyridine
CID 104561399
4-(2-methoxyethoxy)pyrimidine-2-carboxylic acid
CID 124926290

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-2-amine (CID 104568221) is 4-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-2-amine is CNc1nccc(OCCOCCOC)n1.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-2-amine?
The InChIKey is GSLKZOVSCPPRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-11-10-12-4-3-9(13-10)16-8-7-15-6-5-14-2/h3-4H,5-8H2,1-2H3,(H,11,12,13).
What are the key properties of 4-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-2-amine?
4-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-2-amine has a molecular weight of 227.26 g/mol, XLogP of 0.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 104568221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).